Exact Mass: 269.1214
Exact Mass Matches: 269.1214
Found 500 metabolites which its exact mass value is equals to given mass value 269.1214,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Acetochlor
CONFIDENCE standard compound; INTERNAL_ID 1174; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9499; ORIGINAL_PRECURSOR_SCAN_NO 9495 CONFIDENCE standard compound; INTERNAL_ID 1174; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9451; ORIGINAL_PRECURSOR_SCAN_NO 9447 CONFIDENCE standard compound; INTERNAL_ID 1174; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9445; ORIGINAL_PRECURSOR_SCAN_NO 9442 CONFIDENCE standard compound; INTERNAL_ID 1174; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9479; ORIGINAL_PRECURSOR_SCAN_NO 9474 CONFIDENCE standard compound; INTERNAL_ID 1174; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9585; ORIGINAL_PRECURSOR_SCAN_NO 9582 CONFIDENCE standard compound; INTERNAL_ID 1174; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9473; ORIGINAL_PRECURSOR_SCAN_NO 9469 CONFIDENCE standard compound; EAWAG_UCHEM_ID 104 CONFIDENCE standard compound; INTERNAL_ID 8482 CONFIDENCE standard compound; INTERNAL_ID 3221 D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals
Alachlor
CONFIDENCE standard compound; INTERNAL_ID 803; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9585; ORIGINAL_PRECURSOR_SCAN_NO 9582 CONFIDENCE standard compound; INTERNAL_ID 803; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9550; ORIGINAL_PRECURSOR_SCAN_NO 9545 CONFIDENCE standard compound; INTERNAL_ID 803; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9512; ORIGINAL_PRECURSOR_SCAN_NO 9510 CONFIDENCE standard compound; INTERNAL_ID 803; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9542; ORIGINAL_PRECURSOR_SCAN_NO 9539 CONFIDENCE standard compound; INTERNAL_ID 803; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9490; ORIGINAL_PRECURSOR_SCAN_NO 9488 CONFIDENCE standard compound; INTERNAL_ID 803; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9540; ORIGINAL_PRECURSOR_SCAN_NO 9537 Selective preemergent herbicide used on food crop CONFIDENCE standard compound; EAWAG_UCHEM_ID 274 CONFIDENCE standard compound; INTERNAL_ID 3225 D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals
Methyl red
D004396 - Coloring Agents CONFIDENCE standard compound; INTERNAL_ID 502; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9367; ORIGINAL_PRECURSOR_SCAN_NO 9363 CONFIDENCE standard compound; INTERNAL_ID 502; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9443; ORIGINAL_PRECURSOR_SCAN_NO 9441 CONFIDENCE standard compound; INTERNAL_ID 502; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9445; ORIGINAL_PRECURSOR_SCAN_NO 9443 CONFIDENCE standard compound; INTERNAL_ID 502; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9467; ORIGINAL_PRECURSOR_SCAN_NO 9462 CONFIDENCE standard compound; INTERNAL_ID 502; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9471; ORIGINAL_PRECURSOR_SCAN_NO 9469 CONFIDENCE standard compound; INTERNAL_ID 502; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9503; ORIGINAL_PRECURSOR_SCAN_NO 9501
Strobamine
1-Methyl-6-(1,2,3,4-tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone
Disperse yellow 3
D004396 - Coloring Agents
Rizatriptan
Rizatriptan is only found in individuals that have used or taken this drug. It is a triptan drug used for the treatment of migraine headaches. It is a selective 5-hydroxytryptamine1 receptor subtype agonist.Three distinct pharmacological actions have been implicated in the antimigraine effect of the triptans: (1) stimulation of presynaptic 5-HT1D receptors, which serves to inhibit both dural vasodilation and inflammation; (2) direct inhibition of trigeminal nuclei cell excitability via 5-HT1B/1D receptor agonism in the brainstem and (3) vasoconstriction of meningeal, dural, cerebral or pial vessels as a result of vascular 5-HT1B receptor agonism. N - Nervous system > N02 - Analgesics > N02C - Antimigraine preparations > N02CC - Selective serotonin (5ht1) agonists D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017366 - Serotonin Receptor Agonists C78272 - Agent Affecting Nervous System > C47794 - Serotonin Agonist
Histidylasparagine
Histidylasparagine is a dipeptide composed of histidine and asparagine. It is an incomplete breakdown product of protein digestion or protein catabolism. Dipeptides are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Some dipeptides are known to have physiological or cell-signalling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
Asparaginylhistidine
Asparaginylhistidine is a dipeptide composed of asparagine and histidine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
2-(4-Methyl-5-thiazolyl)ethyl octanoate
2-(4-Methyl-5-thiazolyl)ethyl octanoate is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]") It is used as a food additive .
Hepta-2,4-dienoylcarnitine
Hepta-2,4-dienoylcarnitine is an acylcarnitine. More specifically, it is an hepta-2,4-dienoic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. Hepta-2,4-dienoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine Hepta-2,4-dienoylcarnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].
Hepta-2,5-dienoylcarnitine
Hepta-2,5-dienoylcarnitine is an acylcarnitine. More specifically, it is an hepta-2,5-dienoic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. hepta-2,5-dienoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine hepta-2,5-dienoylcarnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].
(3Z,5E)-Hepta-3,5-dienoylcarnitine
(3Z,5E)-hepta-3,5-dienoylcarnitine is an acylcarnitine. More specifically, it is an (3Z,5E)-hepta-3,5-dienoic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. (3Z,5E)-hepta-3,5-dienoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine (3Z,5E)-hepta-3,5-dienoylcarnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].
Tacedinaline
D004791 - Enzyme Inhibitors > D056572 - Histone Deacetylase Inhibitors C471 - Enzyme Inhibitor > C1946 - Histone Deacetylase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent D000970 - Antineoplastic Agents
4-[[4-(Dimethylamino)phenyl]diazenyl]benzoic acid
5-(2-Propoxyphenyl)-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
7,8-Dihydro-2'-deoxyguanosine
Declopramide
C274 - Antineoplastic Agent > C798 - Radiosensitizing Agent C1744 - Multidrug Resistance Modulator
Endralazine
C - Cardiovascular system > C02 - Antihypertensives > C02D - Arteriolar smooth muscle, agents acting on > C02DB - Hydrazinophthalazine derivatives C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents
4-(3'-Methylaminopropylidene)-9,10-dihydro-4H-benzo(4,5)cyclohepta(1,2-b)thiophen
(2S)-1-[2-[[(2S)-Pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carboxylic Acid
1,2-Disehydronorcoclaurine
1,2-disehydronorcoclaurine is a member of the class of compounds known as benzylisoquinolines. Benzylisoquinolines are organic compounds containing an isoquinoline to which a benzyl group is attached. 1,2-disehydronorcoclaurine is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 1,2-disehydronorcoclaurine can be found in custard apple, which makes 1,2-disehydronorcoclaurine a potential biomarker for the consumption of this food product.
Histidinyl-Asparagine
4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-amine
2-Deoxyadenosine monohydrate
2'-Deoxyadenosine monohydrate is a deoxyribonucleoside. A building block in the chemical synthesis. 2'-Deoxyadenosine monohydrate is a deoxyribonucleoside. A building block in the chemical synthesis.
2,2-dimethyl-5-((1E,3E,5E)-5-methyl-6-pyrrol-2-yl-hexa-1,3,5-trienyl)-furan-3-one|all-(E)-wallemia C|Wallemia C|wallemia-D
6-Me ether,O-Ac-1,6-Dihydroxy-3-methyl-9H-carbazole
6-O-Ac,3-O-isobutyryl,picrate-8-Methyl-8-azabicyclo[3.2.1]octane-3,6-diol
9-methoxy-6,6a,11,11a-tetrahydrochromeno[4,3-b]indol-3-ol
Dichotomide VI
A beta-carboline alkaloid that is 9H-beta-carboline substituted by acetyl group at position 1, a hydroxy group at position 8 and an aminocarbonyl at position 3. It has been isolated from Stellaria dichotoma var. lanceolata.
2-(alpha-L-rhamnopyranosyloxy)-benzylamine|o-(alpha-L-Rhamnopyranosyloxy)-benzylamin
2-(2-(2-aminoacetamido)-3-(1H-imidazol-4-yl) propanamido)acetic acid
Meptazinol HCl
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D009294 - Narcotics D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C67413 - Opioid Receptor Agonist D002491 - Central Nervous System Agents > D009292 - Narcotic Antagonists D002491 - Central Nervous System Agents > D000700 - Analgesics
C13H19NO5_1,3-Dioxolo[4,5-c]pyridin-4(5H)-one, 2-(1-hydroxy-1-methoxy-3-methylbutyl)-6-methyl
rizatriptan
N - Nervous system > N02 - Analgesics > N02C - Antimigraine preparations > N02CC - Selective serotonin (5ht1) agonists D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017366 - Serotonin Receptor Agonists C78272 - Agent Affecting Nervous System > C47794 - Serotonin Agonist
2-(1-hydroxy-1-methoxy-3-methylbutyl)-6-methyl-5H-[1,3]dioxolo[4,5-c]pyridin-4-one
3-oxo-C10-homoserine lactone
CONFIDENCE standard compound; INTERNAL_ID 210
Nivalidine
Origin: Plant; SubCategory_DNP: Isoquinoline alkaloids, Amaryllidaceae alkaloids
Asn-his
A dipeptide composed of L-asparagine and L-histidine joined by a peptide linkage.
3-amino-6-methyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one
6-(CHLOROMETHYL)-4-(3-METHOXYPROPYL)-2H-BENZO[B][1,4]OXAZIN-3(4H)-ONE
(5,6-DIMETHYL-4-OXO-3,4-DIHYDRO-THIENO[2,3-D]PYRIMIDIN-2-YL)-ACETICACIDETHYLESTER
1-(4-Piperidinyl)-2-(Trifluoromethyl)-1H-Benzimidazole
2-[(5-cyclohexyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetic acid
cis-2-Benzylaminomethyl-1-cycloheptanol hydrochloride
(+)-3-Hydroxy-1-(4-methoxyphenyl)-4-phenylazetidin-2-one
(2S)-5-Allyl-1,2-pyrrolidinedicarboxylic acid 1-(tert-butyl) 2-methyl ester
3-(1H-BENZOIMIDAZOL-2-YL)-4,5,6,7-TETRAHYDRO-BENZO[B]THIOPHEN-2-YLAMINE
1-(3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)cyclopropanecarbonitrile
2-Chloro-6-methoxypyridine-4-boronic acid pinacol ester
3-BENZYL-1-ISOPROPYL-2,4-DIOXO-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBONITRILE
2-(2-pyridin-4-ylpyrrolidin-1-yl)pyridine-3-carboxylic acid
tert-butyl 4-(3-oxobutanoyl)piperidine-1-carboxylate
6-(1,2,3,4-Tetrahydro-1-isoquinolinyl)-1,3-benzodioxol-5-ol
2-(2-pyridin-3-ylpyrrolidin-1-yl)pyridine-3-carboxylic acid
tert-Butyl 4-chloro-5,6-dihydropyrido[3,4-d]pyrimidine-7(8H)-carboxylate
1,2,4-Triazolidine-3,5-dione,1,2,4-tris(2-oxiranylmethyl)-
4-(2-Ethoxy-2-oxoethylidene)-1-piperidinecarboxylic acid tert-butyl ester
2-(CHLOROACETYL)-6,7-DIMETHOXY-1,2,3,4-TETRAHYDROISOQUINOLINE
1-(1H-Benzo[d]imidazol-2-yl)-3-methyl-4-oxo-1,4-dihydropyridine-2-carboxylic acid
1H-Pyrazolo[3,4-b]pyridine-3-carboximidamide, 1-[(2-fluorophenyl)Methyl]-
4-(4,4-DIMETHYLPIPERIDIN-1-YL)BENZOIC ACID HYDROCHLORIDE
3-(ETHYLCARBAMOYL)-[1,1-BIPHENYL]-2-CARBOXYLIC ACID
2-(3-(METHYLCARBAMOYL)-[1,1-BIPHENYL]-3-YL)ACETIC ACID
2-(1-BENZYLPIPERIDIN-4-YL)ACETIC ACID HYDROCHLORIDE
3-(4-METHYLPIPERAZIN-1-YL)-5-(METHYLSULFONYL)ANILINE
2′-Deoxy-2′-fluoroadenosine
2′-Deoxy-2′-fluoroadenosine can be used for the?synthesis?of 2′-Deoxy-2′-fluoro-modified oligonucleotides hybridized with RNA. 2′-Deoxy-2′-fluoroadenosine can be cleaved efficiently by E. coli purine nucleoside phosphorylase (PNP) to the toxic agent 2-fluoroadenine (FAde). 2′-Deoxy-2′-fluoroadenosine shows excellent in vivo activity against tumors expressing E. coli PNP[1].
3-isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-, 1,1-dimethylethyl ester, hydrochloride
5-Chloro-6-methoxypyridine-3-boronic acid pinacol ester
5-Chloro-2-methoxypyridine-3-boronic acid pinacol ester
ETHYL 4-CHLORO-2-(PIPERIDIN-1-YL)PYRIMIDINE-5-CARBOXYLATE
3a,4,5,6,7,7a-hexahydro-4,7-methano-1H-inden-6-yl isobutyrate
METHYL 3-(PIPERIDIN-4-YLMETHYL)BENZOATE HYDROCHLORIDE
2-((TERT-BUTOXYCARBONYL)(3-FLUOROPHENYL)AMINO)ACETIC ACID
3-Aminomethylphenylboronic acid, pinacol ester, HCl
(4-((2,4-DIMETHYLPHENYL)CARBAMOYL)PHENYL)BORONIC ACID
2-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline hydrochloride
2-methyl-5-(pyrrolidin-1-ylsulfonyl)phenylboronic acid
3-METHYL-1-PHENYL-5-PIPERIDIN-1-YL-1H-PYRAZOLE-4-CARBALDEHYDE
tert-Butyl 4-(thiazol-2-yl)piperazine-1-carboxylate
(4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL)METHANAMINE HYDROCHLORIDE
4-((tert-Butoxycarbonyl)amino)bicyclo[2.2.2]octane-1-carboxylic acid
4-tert-butyl-6-[(hydroxyamino)-phenylmethylidene]cyclohexa-2,4-dien-1-one
4-methyl-N-(4-methylpiperazin-1-yl)benzenesulfonamide
(1S,2R)-5-methoxy-1-methyl-2-(propylamino)tetralin
4-Allyl-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-4-piperidinecarbox ylic acid
tert-butyl 3-chloro-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxylate
6-(BETA-D-2-DEOXYRIBOFURANOSYL)-3,4-DIHYDRO-8H-PYRIMIDO-[4,5-C][1,2]OXAZIN-7-ONE
para-anisaldehyde / methyl anthranilate schiffs base
3-Chloro-2-methoxypyridine-4-boronic acid pinacol ester
Dexmethylphenidate hydrochloride
D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors > D018765 - Dopamine Uptake Inhibitors D002491 - Central Nervous System Agents > D000697 - Central Nervous System Stimulants C78272 - Agent Affecting Nervous System > C47795 - CNS Stimulant D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents D049990 - Membrane Transport Modulators
3-Hydroxy-1-(4-methoxyphenyl)-4-phenylazetidin-2-one
(13S,14S)-4,16,16-trideuterio-3-hydroxy-13-methyl-11,12,14,15-tetrahydrocyclopenta[a]phenanthren-17-one
METHYL 4-(4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-6-YL)BENZOATE
(1S,2S,4R)-7-TERT-BUTYL 2-ETHYL 7-AZABICYCLO[2.2.1]HEPTANE-2,7-DICARBOXYLATE
6,7-DIMETHOXY-1,2,3,4-TETRAHYDRO-1-ISOQUINOLINE ACETIC ACID MONOHYDRATE
benzyl-[3-(pyridine-3-carbonylamino)propyl]azanium
6-Chloro-2-methoxypyridine-3-boronic acid pinacol ester
Ambuphylline
R - Respiratory system > R03 - Drugs for obstructive airway diseases > R03D - Other systemic drugs for obstructive airway diseases > R03DA - Xanthines D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D001993 - Bronchodilator Agents C78273 - Agent Affecting Respiratory System > C29712 - Anti-asthmatic Agent > C319 - Bronchodilator D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents
2-(2-pyridin-2-ylpyrrolidin-1-yl)pyridine-3-carboxylic acid
(1-(tert-Butoxycarbonyl)-5-(methoxycarbonyl)-1H-pyrrol-2-yl)boronic acid
2-Methyl-2-propanyl 3-methyl-1-oxo-2-oxa-7-azaspiro[4.5]decane-7- carboxylate
2-(5-chloro-2-ethoxyphenyl)-N,N-dimethylpentan-1-amine
[3-(4-methylpiperazin-1-yl)sulfonylphenyl]methanamine
tert-Butyl 4-chloro-7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)-carboxylate
Ethyl 5-chloro-6-piperazin-1-ylpyridine-3-carboxylate
2-BENZYLAMINO-CYCLOHEXANECARBOXYLIC ACID HYDROCHLORIDE
(2R,3R,5S)-2-(6-amino-2-fluoropurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol
[3-[(2,4-dimethylphenyl)carbamoyl]phenyl]boronic acid
[3-[(2,3-dimethylphenyl)carbamoyl]phenyl]boronic acid
[3-[(2,5-dimethylphenyl)carbamoyl]phenyl]boronic acid
Methyl 3-(2-amino-4-pyrimidinyl)-1H-pyrrolo[2,3-b]pyridine-4-carb oxylate
1-TERT-BUTYL 3-ETHYL 3,4-DIHYDRO-1H-AZEPINE-1,3(2H,7H)-DICARBOXYLATE
1-[4-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-cyclopropanecarbonitrile
2-(4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
(4R,6R)-tert-Butyl-6-cyanomethyl-2,2-dimethyl-1,3-dioxane-4-acetate
benzyl-dimethyl-(2-prop-2-enoyloxyethyl)azanium,chloride
tert-butyl 2-(hydroxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate
TERT-BUTYL (1-(3-FLUOROPHENYL)-3-HYDROXYPROPYL)CARBAMATE
6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinoline
(S)-1,2,3,4-TETRAHYDRO-3-ISOQUINOLINECARBOXYLIC ACIDT-BUTYL ESTER
N-Methyl-2-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]benzylamine
1H-INDAZOLE, 6-FLUORO-1-METHYL-3-(4-PIPERIDINYL)-, HYDROCHLORIDE
tert-Butyl (2-amino-4,5,6,7-tetrahydrobenzo[d]thiazol-6-yl)carbamate
Benzenamine, 3-[[4-(methylsulfonyl)-1-piperazinyl]methyl]-
tert-butyl 2-chloro-7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)-carboxylate
methylphenidate hydrochloride
D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors > D018765 - Dopamine Uptake Inhibitors D002491 - Central Nervous System Agents > D000697 - Central Nervous System Stimulants D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents D049990 - Membrane Transport Modulators
METHYL 5-(ACETYLOXY)-4-(2-METHOXY-2-OXOETHYL)-2-METHYL-1H-PYRROLE-3-CARBOXYLATE
Phenol,4-[(E)-[(4-methoxyphenyl)methylene]amino]-, 1-acetate
(S)-Tert-Butyl2-(2-aminothiazol-4-yl)pyrrolidine-1-carboxylate
3-ISOQUINOLINECARBOXYLIC ACID, 1,2,3,4-TETRAHYDRO-, 1,1-DIMETHYLETHYL ESTER, HYDROCHLORIDE, (S)-
(2R,3R)-2-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)- 2,3-Butanediol
methacryloyl oxyethyl dimethylbenzyl ammonium chloride
methyl 2-fluoro-4-((1-methoxy-2-methyl-1-oxopropan-2-yl)amino)benzoate
3-(3-Fluorophenyl)-N,N-dimethylbicyclo[2.2.1]heptan-2-amine hydrochloride (1:1)
2-Aminopurine-9-beta-D-(2-deoxy-2-fluoro)arabino-riboside
(2R,3R)-3-Chloro-3-(3-methoxyphenyl)-N,N-2-trimethylpentanamine
1-(3-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridine-3-carboximidamide
Methyl 2-(4-((tert-butoxycarbonyl)aMino)cyclohexylidene)acetate
(4-Methyl-3-(pyrrolidin-1-ylsulfonyl)phenyl)boronic acid
N,N-diethyl-5-Methoxy-1,2,3,4-tetrahydronaphthalen-2-aMine hydrochloride
2-chloro-3-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
ethyl 1-(6-chloropyridazin-3-yl)piperidine-4-carboxylate
7-[(tert-butoxy)carbonyl]-7-azaspiro[3.5]nonane-2-carboxylic acid
tert-butyl 2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxylate
methyl 6-{[(tert-butoxy)carbonyl]amino}spiro[3.3]heptane-2-carboxylate
N4-Acetyl-2-deoxycytidine
N-Acetyl-2′-deoxycytidine is a purine nucleoside analog. Purine nucleoside analogs have broad antitumor activity targeting indolent lymphoid malignancies. Anticancer mechanisms in this process rely on inhibition of DNA synthesis, induction of apoptosis, etc[1].
2-(3-(METHYLCARBAMOYL)-[1,1-BIPHENYL]-4-YL)ACETIC ACID
4(3H)-Pyrimidinone,2-[(5,6-dimethyl-1H-benzimidazol-2-yl)amino]-6-methyl-
METHYL 4-AMINO-5-BROMO-2-METHOXYBENZENECARBOXYLATE
4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-amine
(2-Methyl-4-(pyrrolidin-1-ylsulfonyl)phenyl)boronic acid
9-(2-Deoxy-2-fluoro-beta-D-arabinofuranosyl)adenine
5-（Furan-2-yl)-3-p-tolyl-4,5-dihydro-1H-pyrazole-1-carboxamide
ethyl 2-[tert-butoxycarbonylimino]-3,3,3-trifluoro-propionate
2-AMINO-6-BENZYL-4,5,6,7-TETRAHYDRO-THIENO[2,3-C]PYRIDINE-3-CARBONITRILE
4-(4-nitrophenyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
3-Allyl-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-3-piperidinecarbox ylic acid
1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
4-(4-Propoxy-1h-Pyrrolo[2,3-B]pyridin-3-Yl)pyrimidin-2-Amine
3-[4-Amino-1-(1-Methylethyl)-1h-Pyrazolo[3,4-D]pyrimidin-3-Yl]phenol
Pardoprunox hydrochloride
C78272 - Agent Affecting Nervous System > C66884 - Dopamine Agonist Pardoprunox (SLV-308) hydrochloride is a partial dopamine D2 and D3 receptor partial agonist and a serotonin 5-HT1A receptor agonist, with pEC50s of 8, 9.2, and 6.3, respectively[1].
4-(3-Methylaminopropylidene)-9,10-dihydro-4H-benzo(4,5)cyclohepta(1,2-b)thiophen
5-(2-Propoxyphenyl)-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
3-Oxo-N-[(3s)-2-Oxotetrahydrofuran-3-Yl]decanamide
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
N-Benzoyl-D-phenylalanine
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D000345 - Affinity Labels
4-Amino-1-[(1s,3r,4r,7s)-7-Hydroxy-1-(Hydroxymethyl)-2,5-Dioxabicyclo[2.2.1]Hept-3-Yl]-5-Methylpyrimidin-2(1h)-One
5-Methyl-2'-O,4'-C-methylenecytidine is a cytidine nucleoside analog. Cytidine analogs have a mechanism of inhibiting DNA methyltransferases (such as Zebularine, HY-13420), and have potential anti-metabolic and anti-tumor activities[1].
1-[4,6-Bis(ethylamino)-1,3,5-triazin-2-yl]-1-ethylthiourea
(1E)-N-anilino-2-(azepan-1-yl)-2-iminoethanimidoyl cyanide
(2S)-1-[(2S)-1-(2-aminoacetyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
D001697 - Biomedical and Dental Materials
1-(4,6-Dimethyl-2-pyrimidinyl)-2-[(4-methylphenyl)methyl]guanidine
N,N-di-tert-butyl-6-(methylsulfanyl)-1,3,5-triazine-2,4-diamine
(+)-AJ 76 hydrochloride
AJ-76 hydrochloride ((+)-AJ 76 hydrochloride) is an antagonist of dopamine autoreceptor with pKi values of 6.95, 6.67, 6.37, 6.21 and 6.07 for hD3, hD4, hD2S, hD2L and rD2 receptors, respectively.
1-methoxy-N-[(2,3,4-trimethoxyphenyl)methyl]-2-propanamine
alpha-(p-Methoxyphenyl)-6-methyl-2-pyridineacrylic acid
7-(1-Ethyl-propyl)-7h-pyrrolo-[3,2-f]quinazoline-1,3-diamine
(1R,2R,3R,4S,5R)-4-(Benzylamino)-5-(methylthio)cyclopentane-1,2,3-triol
(2R)-4,4-dihydroxy-5-nitro-2-(phenylmethyl)pentanoic acid
CI-994
D004791 - Enzyme Inhibitors > D056572 - Histone Deacetylase Inhibitors C471 - Enzyme Inhibitor > C1946 - Histone Deacetylase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent D000970 - Antineoplastic Agents
ENDRALAZINE
C - Cardiovascular system > C02 - Antihypertensives > C02D - Arteriolar smooth muscle, agents acting on > C02DB - Hydrazinophthalazine derivatives C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents
N,N-dimethyl-N-(8-methyl-5H-pyrimido[5,4-b]indol-4-yl)ethane-1,2-diamine
(2S)-2-amino-5-[[(2S)-1-hydroxy-3-[(1S)-2-methylidenecyclopropyl]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
(2R,3S,4R,5S)-2-(7-amino-2,3-dihydro-1H-pyrazolo[4,3-d]pyrimidin-3-yl)-5-(hydroxymethyl)oxolane-3,4-diol
(4R)-10,11-dihydroxy-5-azaspiro[cyclohexane-1,2-tricyclo[6.3.1.04,12dodecane]-(12),2,5,8,10-pentaen-4-one
(8R)-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,4,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-3-ium-8-ol
(2S)-2,5-diamino-4-[(2-phosphonoacetyl)amino]pentanoic acid
2-Amino-9-(2,3-dideoxy-3-fluoropentofuranosyl)-3,9-dihydro-6H-purin-6-one
2-amino-9-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-7,8-dihydro-1H-purin-6-one
N-Benzoyl-L-phenylalanine
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D000345 - Affinity Labels
Concerta
D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors > D018765 - Dopamine Uptake Inhibitors D002491 - Central Nervous System Agents > D000697 - Central Nervous System Stimulants D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents D049990 - Membrane Transport Modulators
6-chloro-N4-cyclohexyl-N2-propan-2-yl-1,3,5-triazine-2,4-diamine
2-methoxy-N-[(4-methylphenyl)methyl]-2-phenylacetamide
Acetic acid [4-[(1-oxo-2-phenylethyl)amino]phenyl] ester
4-(3-Methyl-5-isoxazolyl)-5-phenylcyclohexane-1,3-dione
5-(2-furanyl)-N-(3-pyridinylmethyl)-3-isoxazolecarboxamide
2-methyl-N-(1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)propanamide
N-[2-(1-cyclohexenyl)ethyl]-1-phenyl-5-tetrazolamine
2-phenoxy-N-[(1E)-pyridin-2-ylmethylene]propanohydrazide
2-(2-methylphenoxy)-N-[(1E)-pyridin-2-ylmethylene]acetohydrazide
2-[(prop-2-enylthio)-(4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]propanedinitrile
(2Z)-2-(1-butyl-2-oxoindol-3-ylidene)-2-cyanoacetamide
(2R,3R,4S)-3-[4-[3-(dimethylamino)prop-1-ynyl]phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile
2,3-Dimethoxy-[2-(4-Pyridinyl)-1-butenyl]phenol
3-(4-Tert-butylamino-6-methylthiol-s-triazin-2-ylamino)propionaldehyde
N-(oxolan-2-ylmethyl)-5H-pyrimido[5,4-b]indol-3-ium-4-amine
5-Isocyano-2-[[2-(methylaminomethyl)phenyl]thio]aniline
1-[(Z)-[(4-amino-1,2,5-oxadiazol-3-yl)hydrazinylidene]methyl]naphthalen-2-ol
2-Trimethylsilylamino-4-t-butylamino-6-methoxy-1,3,5-triazine
4-[3-(Tetrahydro-2H-pyran-2-yloxy)propyl]-1-aza-3-oxabicyclo[3.3.0]octan-2-one
alpha-(4-methoxyphenyl)-6-methyl-2-pyridineacrylic acid
A monocarboxylic acid that is acrylic acid with substituents 4-methoxyphenyl at position 2 and 6-methylpyridin-2-yl at position 3.
3'-Azido-3'-deoxy-beta-L-uridine
3'-Azido-3'-deoxy-beta-L-uridine (Compound 25) is a nucleoside derivative. 3'-Azido-3'-deoxy-beta-L-uridine is a click chemistry reagent, it contains an Azide group and can undergo copper-catalyzed azide-alkyne cycloaddition reaction (CuAAc) with molecules containing Alkyne groups. Strain-promoted alkyne-azide cycloaddition (SPAAC) can also occur with molecules containing DBCO or BCN groups.
3'-Deoxy-3'-fluoroadenosine
3'-Deoxy-3'-fluoroadenosine is a purine nucleoside analogue. Purine nucleoside analogs have broad antitumor activity targeting indolent lymphoid malignancies. Anticancer mechanisms in this process rely on inhibition of DNA synthesis, induction of apoptosis, etc[1].
H-Pro-Gly-Pro-OH
H-Pro-Gly-Pro-OH is a collagen-derived matrikine that has classically been described as a neutrophil chemoattractant. H-Pro-Gly-Pro-OH is perfectly positioned to focus neutrophils on the site required and direct a localized repair response. H-Pro-Gly-Pro-OH activates the transcription of neurotrophins and their receptor genes after cerebral ischemia[1][2].
Piperoxan (hydrochloride)
Piperoxan (Benodaine) hydrochloride is an α2 adrenoceptor antagonist. Piperoxan hydrochloride is the first-generation antihistamine.
(1r,7ar)-7-(hydroxymethyl)-2,3,5,7a-tetrahydro-1h-pyrrolizin-1-yl (2s)-2-hydroxy-2,3-dimethylbutanoate
(9bs)-7-methoxy-2h,4h,5h,10h,11h-indolo[7a,1-a]isoquinolin-8-ol
(14s)-14-methoxy-8-oxa-17-azatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-1(10),2,4,6,11(15),16-hexaen-4-ol
apohaemanthamine
{"Ingredient_id": "HBIN016512","Ingredient_name": "apohaemanthamine","Alias": "NA","Ingredient_formula": "C16H15NO3","Ingredient_Smile": "C1C2C=CC34C1N(CC3O2)CC5=CC6=C(C=C45)OCO6","Ingredient_weight": "269.29 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1532","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "70693230","DrugBank_id": "NA"}
