Exact Mass: 247.10691980000004
Exact Mass Matches: 247.10691980000004
Found 500 metabolites which its exact mass value is equals to given mass value 247.10691980000004,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Linamarin
C10H17NO6 (247.10558220000001)
Linamarin is a beta-D-glucoside. It is functionally related to a 2-hydroxy-2-methylpropanenitrile. Linamarin is a natural product found in Osteospermum ecklonis, Lotus arenarius, and other organisms with data available. Linamarin is found in coffee and coffee products. Linamarin occurs in manioc (Manihot utilissimus), flax (Linum usitatissimum), Phaseolus lunatus (butter bean), Trifolium repens (white clover) and other plants. First isloated in 1830. Occurs in manioc (Manihot utilissimus), flax (Linum usitatissimum), Phaseolus lunatus (butter bean), Trifolium repens (white clover) and other plants. First isol in 1830. Linamarin is found in many foods, some of which are gooseberry, chinese broccoli, cascade huckleberry, and leek. Linamarin is found in coffee and coffee products. Linamarin occurs in manioc (Manihot utilissimus), flax (Linum usitatissimum), Phaseolus lunatus (butter bean), Trifolium repens (white clover) and other plants. First isloated in 1830. Linamarin, a natural compound, possesses anticancer activity[1]. Linamarin, a natural compound, possesses anticancer activity[1].
semustine
L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01A - Alkylating agents > L01AD - Nitrosoureas C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D009676 - Noxae > D000477 - Alkylating Agents D000970 - Antineoplastic Agents
N-(4-Coumaroyl)-L-homoserine lactone
An N-acyl-L-homoserine lactone having 4-coumaroyl as the acyl substituent.
Threonylglutamine
C9H17N3O5 (247.11681520000002)
Threonylglutamine is a dipeptide composed of threonine and glutamine. 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.
Asparaginylaspartic acid
Asparaginylaspartic acid is a dipeptide composed of asparagine and aspartic acid. 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.
Aspartyl-Asparagine
Aspartyl-Asparagine is a dipeptide composed of aspartate and asparagine. 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. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
Malonylcarnitine
C10H17NO6 (247.10558220000001)
Malonylcarnitine is a metabolite that accumulates with specific disruption of fatty-acid oxidation caused by impaired entry of long-chain acylcarnitine esters into the mitochondria and failure of the mitochondrial respiratory chain at complex 11 and malonyl-CoA decarboxylase (EC 4.1.1.9) deficiency (OMIM 248360). Malonylcarnitine has also been found to accumulate in some newborns with medium-chain acyl-CoA dehydrogenase (EC 1.3.99.3) deficiency (OMIM 201450). (PMID 11558490, 15303003, 12651823) [HMDB] Malonylcarnitine is a metabolite that accumulates with specific disruption of fatty-acid oxidation caused by the impaired entry of long-chain acylcarnitine esters into the mitochondria and failure of the mitochondrial respiratory chain at complex 11 and malonyl-CoA decarboxylase (EC 4.1.1.9) deficiency (OMIM: 248360). Malonylcarnitine has also been found to accumulate in some newborns with medium-chain acyl-CoA dehydrogenase (EC 1.3.99.3) deficiency (OMIM: 201450). (PMID:11558490, 15303003, 12651823).
3-Hydroxybutyrylcarnitine
3-Hydroxybutyrylcarnitine is an acylcarnitine. More specifically, it is an 3-hydroxybutyric 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. 3-Hydroxybutyrylcarnitine is therefore classified as a short chain AC. As a short-chain acylcarnitine 3-hydroxybutyrylcarnitine is a member of the most abundant group of carnitines in the body, comprising more than 50\\% of all acylcarnitines quantified in tissues and biofluids (PMID: 31920980). Some short-chain carnitines have been studied as supplements or treatments for a number of diseases, including neurological disorders and inborn errors of metabolism. In particular 3-hydroxybutyrylcarnitine is elevated in the blood or plasma of individuals with short-chain L-3-hydroxyacyl-CoA dehydrogenase deficiency (PMID: 11489939, PMID: 15870679), prediabetes (PMID: 28505362), T2DM (PMID: 28505362), metallosis (PMID: 30271721), mitochondrial acetoacetyl-coa thiolase deficiency (PMID: 20157782), and heart failure (PMID: 25881932). It is also decreased in the blood or plasma of individuals with psoriasis (PMID: 33391503). 3-Hydroxybutyrylcarnitine is elevated in the urine of individuals with renal cell carcinoma (PMID: 29658093). Carnitine acetyltransferase (CrAT, EC:2.3.1.7) is responsible for the synthesis of all short-chain and short branched-chain acylcarnitines (PMID: 23485643). 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].
Glutaminylthreonine
C9H17N3O5 (247.11681520000002)
Glutaminylthreonine is a dipeptide composed of glutamine and threonine. 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.
Threoninyl-Gamma-glutamate
C9H17N3O5 (247.11681520000002)
Threoninyl-Gamma-glutamate is a dipeptide composed of threonine and gamma-glutamate. 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. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
(R)-3-hydroxybutyrylcarnitine
(R)-3-Hydroxybutyrylcarnitine is an acylcarnitine. More specifically, it is an 3-hydroxybutanoic 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. (R)-3-Hydroxybutyrylcarnitine is therefore classified as a short chain AC. As a short-chain acylcarnitine (R)-3-hydroxybutyrylcarnitine is a member of the most abundant group of carnitines in the body, comprising more than 50\\% of all acylcarnitines quantified in tissues and biofluids (PMID: 31920980). Some short-chain carnitines have been studied as supplements or treatments for a number of diseases, including neurological disorders and inborn errors of metabolism. In particular (R)-3-hydroxybutyrylcarnitine is elevated in the blood or plasma of individuals with short-chain L-3-hydroxyacyl-CoA dehydrogenase deficiency (PMID: 11489939, PMID: 15870679), prediabetes (PMID: 28505362), T2DM (PMID: 28505362), metallosis (PMID: 30271721), mitochondrial acetoacetyl-coa thiolase deficiency (PMID: 20157782), and heart failure (PMID: 25881932). It is also decreased in the blood or plasma of individuals with psoriasis (PMID: 33391503). (R)-3-Hydroxybutyrylcarnitine is elevated in the urine of individuals with renal cell carcinoma (PMID: 29658093). Carnitine acetyltransferase (CrAT, EC:2.3.1.7) is responsible for the synthesis of all short-chain and short branched-chain acylcarnitines (PMID: 23485643). 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].
(+-)-Carbovir
C11H13N5O2 (247.10691980000004)
2-Ethoxy-1-ethoxycarbonyl-1,2-dihydroquinoline
D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018492 - Dopamine Antagonists D009676 - Noxae > D000477 - Alkylating Agents
Parbendazole
C13H17N3O2 (247.13207020000002)
1,4-dioxa-8-azaspiro[4.5]dec-8-yl(phenyl)methanone
N-(3-imidazol-1-ylpropyl)-3-nitropyridin-2-amine
C11H13N5O2 (247.10691980000004)
N1-(1,3,5-Trimethyl-1H-pyrazol-4-yl)-2-cyano-3-(dimethylamino)acrylamide
3-(4-methyl-2-oxo-3-phenyl-tetrahydro-[3]furyl)-propionic acid amide|3-(4-Methyl-2-oxo-3-phenyl-tetrahydro-[3]furyl)-propionsaeure-amid
Me glycoside,N-Ac,4,6-dimesyl-alpha-D-Pyranose-2-Amino-2,3-dideoxy-ribo-hexopyranose
Me glycoside,N-Ac,2,4-dimesyl-beta-D-Pyranose-3-Amino-3,6-dideoxygalactose
5-hydroxy-3-(1,2-dihydroxyprop-1-enyl)-1-methylquinolin-4-one
2-(3-Hydroxy-3-methylbutyl)-6-hydroxy-4(1H)-quinolone
1-Methyl-3-hydroxy-3-(2-oxopropyl)-1,2,3,4-tetrahydroquinoline-2,4-dione
4,6-Dideoxy-3-C-methyl-4-(methuylamino)mannose,9CI-beta-D-Pyranose-form-Me glycoside,N-Ac
2-(3-Hydroxy-3-methylbutyl)-7-hydroxy-4(1H)-quinolone
ethyl 6-methoxy-2-oxo-1,2-dihydroquinoline-4-carboxylate
1-Isothiocyanato-9-(methylsulfinyl)-nonane
Acquisition and generation of the data is financially supported in part by CREST/JST.
Linamarin
C10H17NO6 (247.10558220000001)
Linamarin, a natural compound, possesses anticancer activity[1]. Linamarin, a natural compound, possesses anticancer activity[1].
Malonylcarnitine
C10H17NO6 (247.10558220000001)
Asn-asp
A dipeptide composed of L-asparagine and L-aspartic acid joined by a peptide linkage.
Thr-Gln
C9H17N3O5 (247.11681520000002)
A dipeptide formed from L-threonine and L-glutamine residues.
THR-GGlu
C9H17N3O5 (247.11681520000002)
GGlu-Thr
C9H17N3O5 (247.11681520000002)
CAR 3:1;O2
C10H17NO6 (247.10558220000001)
n-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]formamide
C13H18BNO3 (247.13796680000002)
N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]formamide
C13H18BNO3 (247.13796680000002)
2,5-dihydro-pyrrole-1,3-dicarboxylic acid 1-benzylester
1-(4-carbamimidoyl phenyl)piperidine-4-carboxylicacid
C13H17N3O2 (247.13207020000002)
Thiourea, N-(1-methyl-1H-pyrazol-3-yl)-N-(4-pyridinylmethyl)- (9CI)
C11H13N5S (247.08916180000003)
Thiourea, N-(1-methyl-1H-pyrazol-3-yl)-N-(2-pyridinylmethyl)- (9CI)
C11H13N5S (247.08916180000003)
Benzenebutanoic acid, β-amino-2,4,5-trifluoro-, methyl ester, (βR)-
C11H12F3NO2 (247.08200879999998)
2-(2-METHOXY-PHENYL)-OXAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
TRANS-2,6-DIFLUORO-4-(4-VINYL-CYCLOHEXYL)-BENZONITRILE
4-(4-METHYLPIPERIDINE-1-CARBONYL)PHENYLBORONIC ACID
C13H18BNO3 (247.13796680000002)
Carbovir
C11H13N5O2 (247.10691980000004)
C471 - Enzyme Inhibitor > C1589 - Reverse Transcriptase Inhibitor > C97452 - Nucleoside Reverse Transcriptase Inhibitor D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D044966 - Anti-Retroviral Agents D009676 - Noxae > D000963 - Antimetabolites > D015224 - Dideoxynucleosides C254 - Anti-Infective Agent > C281 - Antiviral Agent
2-chloro-N-(1-hydroxy-2,2,6,6-tetramethyl-4-piperidyl)acetamide
C11H20ClN2O2 (247.12132300000002)
N-(3-chloropropyl)-1-phenylpropan-2-amine,hydrochloride
2-(4-FLUOROPHENYL)-5-(PIPERIDIN-4-YL)-1,3,4-OXADIAZOLE
C13H14FN3O (247.11208459999997)
1H-Indole-1-carboxylic acid, 5-(hydroxyMethyl)-, 1,1-dimethylethyl ester
tert-Butyl 6-(hydroxymethyl)-1H-indole-1-carboxylate
tert-Butyl 4-(hydroxymethyl)-1H-indole-1-carboxylate
tert-Butyl 4-(chlorocarbonyl)-piperidine-1-carboxylate
ethyl 3-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-propanoate
METHYL 2-METHYL-8-OXO-5,6,7,8-TETRAHYDRO-1-OXA-7A-AZAINDACENE-4-CARBOXYLATE
5-Acetylpyridine-3-boronic acid pinacol ester
C13H18BNO3 (247.13796680000002)
6-methyl-2-(4-methylphenyl)-1,3,6,2-dioxazaborocane-4,8-dione
1-ethyl-4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carbohydrazide
ETHANONE, 1-(3,4-DIHYDRO-6,7-DIMETHOXY-1-METHYLENE-2(1H)-ISOQUINOLINYL)-
3-Isopropyl-d7-1H-2,1,3-benzothiadiazin-4(3H)-one 2,2-dioxide
5-chloro-2-octyl-1,2-thiazol-3-one
C11H18ClNOS (247.07975679999998)
ETHYL 7,7-DIMETHYL-5-OXO-5,6,7,8-TETRAHYDROQUINOLINE-3-CARBOXYLATE
4-(CYANO-DIMETHYL-METHYL)-2-ETHOXY-BENZOIC ACID METHYL ESTER
5-[butyl(ethyl)amino]-2-nitrobenzonitrile
C13H17N3O2 (247.13207020000002)
4-(dipropylamino)-2-nitrobenzonitrile
C13H17N3O2 (247.13207020000002)
METHYL 2-(6-FLUORO-2,3-DIHYDRO-1H-PYRROLO[1,2-A]INDOL-1-YL)ACETATE
[amino(anilino)methylidene]-phenylazanium,chloride
5-(1,3-DIOXO-1,3-DIHYDRO-ISOINDOL-2-YL)-PENTANOIC ACID
4-(3,4-DIFLUORO-BENZYL)-PIPERIDINEHYDROCHLORIDE
C12H16ClF2N (247.09392699999998)
3-methyl-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)pentanoic acid
CX 614
CX614 is a positive variant modulator of AMPA receptors that enhances excitatory postsynaptic potentials (amplitude and duration) by blocking and slowing the inactivation of responses to glutamate and automatically evokes excitatory postsynaptic currents in neuronal cultures. CX614 can be used in the study of psychiatric disorders such as depression[1][2].
5-(dipropylamino)-2-nitrobenzonitrile
C13H17N3O2 (247.13207020000002)
4-[butyl(ethyl)amino]-2-nitrobenzonitrile
C13H17N3O2 (247.13207020000002)
3-Pyridazinamine, 6-[[(4-methoxyphenyl)methyl]thio]-
Cyclohexanecarboxylic acid, 4-cyano-3-fluorophenyl ester
4-ALLYL-5-(4-METHOXYPHENYL)-4H-1,2,4-TRIAZOLE-3-THIOL
3-Fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
C13H15BFNO2 (247.11798120000003)
Ethyl 8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylate
[4-[(cyclopentanecarbonylamino)methyl]phenyl]boronic acid
C13H18BNO3 (247.13796680000002)
3-Fluoro-1,3-piperidinedicarboxylic acid 1-tert-butyl ester
benzyl 2-(dimethylaminomethylidene)-3-oxobutanoate
ethyl 3-(4-hydroxyphenyl)-5-methylisoxazole-4-carboxylate
(S)-Methyl 4-[(tert-butoxycarbonyl)amino]-5-hydroxypentanoate
(+/-)-THIOMORPHOLINE-3,4-DICARBOXYLICACID4-TERT-BUTYLESTER
1-OXO-SPIRO[CYCLOHEXANE-1,3(1H)-FURO[3,4-C]PYRIDINE]-4-CARBOXYLICACID
4-ALLYL-5-(2-METHOXYPHENYL)-4H-1,2,4-TRIAZOLE-3-THIOL
4-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
C13H15BFNO2 (247.11798120000003)
2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methylbutanoic acid
3-Cyano-4-Fluorophenylboronic Acid, Pinacol Ester
C13H15BFNO2 (247.11798120000003)
[3-(Cyclohexylcarbamoyl)phenyl]boronic acid
C13H18BNO3 (247.13796680000002)
[4-(Cyclohexylcarbamoyl)phenyl]boronic acid
C13H18BNO3 (247.13796680000002)
ethyl 7-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylate
4-(4-CARBAMOYL-PHENYLCARBAMOYL)-PIPERIDINE
C13H17N3O2 (247.13207020000002)
4-amino-4-(2-carboxyethyl)heptanedioic acid
C10H17NO6 (247.10558220000001)
3-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
C13H15BFNO2 (247.11798120000003)
(6-((1-(TERT-BUTYL)-1H-PYRAZOL-5-YL)AMINO)PYRAZIN-2-YL)METHANOL
1-(4-acetylphenyl)-5-oxopyrrolidine-3-carboxylic acid
5-Nitro-3-(piperazin-1-yl)-1H-indazole
C11H13N5O2 (247.10691980000004)
ethyl 3-amino-3-(3-fluorophenyl)propanoate,hydrochloride
C11H15ClFNO2 (247.07752920000001)
PIPERIDINE-3-CARBOXYLIC ACID (4-CARBAMOYL-PHENYL)-AMIDE
C13H17N3O2 (247.13207020000002)
Parbendazole
C13H17N3O2 (247.13207020000002)
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C250 - Antihelminthic Agent
2-PROPANAMIDO-7-METHOXY-3,4-DIHYDRONAPHTHALEN-1-(2H)-ONE
(S)-3-(4-ACETYLPHENYL)-4-ISOPROPYLOXAZOLIDIN-2-ONE
tert-butyl 2-(2-chloroacetyl)pyrrolidine-1-carboxylate
6-Methoxycarbonylindole-2-carboxylic acid ethyl ester
2-methyl-N-(4-phenylthiazol-2-yl)propane-1,2-diamine
7-Benzyl-8-hydroxy-1-oxa-7-azaspiro[4.4]nonan-6-one
Benzyl 5-hydroxy-2-azabicyclo[2.2.1]heptane-2-carboxylate
2-Acetylpyridine-4-boronic acid pinacol ester
C13H18BNO3 (247.13796680000002)
(Z)-4-(2,4-DIMETHOXYBENZYLIDENE)-2-METHYLOXAZOL-5(4H)-ONE
N-(1-acetylpiperidin-4-yl)pyridine-4-carboxamide
C13H17N3O2 (247.13207020000002)
Methyl 3-amino-4-(2,4,5-trifluorophenyl)butanoate
C11H12F3NO2 (247.08200879999998)
INDOLE-2,4-DICARBOXYLIC ACID 2-ETHYL ESTER 4-METHYL ESTER
(R)-METHYL 5-OXO-1-((R)-1-PHENYLETHYL)PYRROLIDINE-3-CARBOXYLATE
(1H-PYRROLO[2,3-B]PYRIDIN-5-YLMETHYL)-CARBAMIC ACID TERT-BUTYL ESTER
C13H17N3O2 (247.13207020000002)
(3S)-3,4-DIHYDRO-5-METHOXY-2H-1-BENZOPYRAN-3-AMINE
tert-butyl ((1H-pyrrolo[2,3-b]pyridin-4-yl)methyl)carbamate
C13H17N3O2 (247.13207020000002)
diethyl 2-(1-nitroethyl)butanedioate
C10H17NO6 (247.10558220000001)
5-METHOXY-2-METHYL-1-PROPYL-1H-INDOLE-3-CARBOXYLIC ACID
4-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
C13H15BFNO2 (247.11798120000003)
4-Chloro-6-methyl-5-(2-methylbenzyl)-2-pyrimidinamine
4-Cyano-3-fluorophenylboronic acid pinacol ester
C13H15BFNO2 (247.11798120000003)
Thiourea, N-(1-methyl-1H-pyrazol-3-yl)-N-(3-pyridinylmethyl)- (9CI)
C11H13N5S (247.08916180000003)
1,2-DIHYDRO-4-HYDROXY-1-METHYL-2-OXO-3-QUINOLINECARBOXYLIC ACID ETHYL ESTER
[4-(3-Methyoxypropoxy)-3-methyl-2-pyridinyl]methanol hydrochloride
2-[2-[2-(methylamino)-2-oxoethyl]benzimidazol-1-yl]acetic acid
1-aMino-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxaMide
Methyl 3-(2-Methoxyphenyl)-5-Methylisoxazole-4-carboxylate
3-HYDROXY-3-(2-OXO-PROPYL)-1-PROPYL-1,3-DIHYDRO-INDOL-2-ONE
4-Chloro-6-methyl-5-(4-methylbenzyl)-2-pyrimidinamine
1-(4-Propylphenyl)-5-oxopyrrolidine-3-carboxylic acid
1-(Cyclohexylmethyl)pyrrolidine-2-carboxylic acid hydrochloride
2-(4-METHYLPHENYL)-2-PHENYLETHYLAMINE HYDROCHLORIDE
1-(4-Isopropylphenyl)-5-oxopyrrolidine-3-carboxylic acid
DI-TERT-BUTYL(METHYL)PHOSPHONIUM TETRAFLUOROBORATE
5-[4-(TERT-BUTYL)PHENYL]-4-METHYL-4H-1,2,4-TRIAZOLE-3-THIOL
Varenicline (Hydrochloride)
Varenicline (CP 526555) is an orally active partial agonist of α4β2 nicotinic acetylcholine receptor (α4β2 nAChR, IC50 = 250 nM), which is the principal mediator of nicotine dependence. Varenicline is also a partial agonist of α6β2 nAChR and a full agonist of α6β2 nAChR. Varenicline blocks the direct agonist effects of nicotine on nAChR while stimulates nAChR in a more moderate way, being widely used as an aid of smoking cessation[1][2][3][4][5].
Ethyl-1-(3-methoxyphenyl)-1H-1,2,4-triazole-3- carboxylate
6-FORMYL-2,3-DIHYDRO-INDOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
N-tert-Butoxycarbonyl-L-aspartic acid 1-methyl ester
C10H17NO6 (247.10558220000001)
2-chloro-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethanone
2,4,5-trifluoro-n-(1-hydroxy-2-methylpropan-2-yl)benzamide
C11H12F3NO2 (247.08200879999998)
Isoprenaline hydrochloride
D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D001993 - Bronchodilator Agents D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013566 - Sympathomimetics C78273 - Agent Affecting Respiratory System > C29712 - Anti-asthmatic Agent > C319 - Bronchodilator D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists D020011 - Protective Agents > D002316 - Cardiotonic Agents D002317 - Cardiovascular Agents Isoprenaline (Isoproterenol) hydrochloride is a non-selective, orally active β-adrenergic receptor agonist. Isoprenaline has potent peripheral vasodilator, bronchodilator, and cardiac stimulating activities. Isoprenaline can be used for the research of bradycardia and bronchial asthma[1][2][3][4][5][6].
ETHYL 2-ANILINO-4-OXO-4,5-DIHYDRO-3-FURANCARBOXYLATE
6-Acetylpyridine-3-boronic acid pinacol ester
C13H18BNO3 (247.13796680000002)
METHYL 4-(DIMETHYLAMINO)BICYCLO[2.2.2]OCTANE-1-CARBOXYLATE HYDROCHLORIDE
(3-endo)-N-(2-Nitrophenyl)-8-azabicyclo[3.2.1]octan-3-amine
C13H17N3O2 (247.13207020000002)
D-ASPARTIC ACID, N-[(1,1-DIMETHYLETHOXY)CARBONYL]-, 4-METHYL ESTER
C10H17NO6 (247.10558220000001)
1-(4-(Trifluoromethyl)pyrimidin-2-yl)piperidin-4-ol
C10H12F3N3O (247.09324179999996)
2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)acetohydrazide
7-Chloro-4-(piperazin-1-yl)quinoline
7-Chloro-4-(piperazin-1-yl)quinolone is an important scaffold in medicinal chemistry. 7-Chloro-4-(piperazin-1-yl)quinolone is a potent sirtuin inhibitor and also inhibits the serotonin uptake (IC50 of 50 μM). 7-Chloro-4-(piperazin-1-yl)quinolone exhibits antimalarial activity on D10 and K1 strains of P. falciparum with IC50s of 1.18 μM and 0.97 μM, respectively[1].
NU 2058
NU2058 (O6-(Cyclohexylmethyl)guanine) is a potent, competitive and guanine-based CDK inhibitor with IC50s of 17 μM and 26 μM for CDK2 and CDK1. NU2058 has anti-cancer activity.
Methyl 4-(5-amino-1-methyl-1H-benzimidazol-2-yl)butanoate
C13H17N3O2 (247.13207020000002)
tert-butyl 3-aMino-6-Methyl-1H-indazole-1-carboxylate
C13H17N3O2 (247.13207020000002)
cis-1-(tert-butoxycarbonyl)-3-fluoropiperidine-4-carboxylic acid
(S)-2-(((benzyloxy)carbonyl)aMino)pent-4-ynoic acid
(R)-2-(((benzyloxy)carbonyl)aMino)pent-4-ynoic acid
2-chloro-N-ethyl-N-[(2-methylphenyl)methyl]ethanamine,hydrochloride
3-(1,2,4-triazol-1-yl)adamantane-1-carboxylic acid
C13H17N3O2 (247.13207020000002)
(2S,4S)-1-(TERT-BUTOXYCARBONYL)-4-FLUOROPIPERIDINE-2-CARBOXYLIC ACID
4-((S)-1-AMINO-2,2,2-TRIFLUORO-ETHYL)-BENZOIC ACID ETHYL ESTER
C11H12F3NO2 (247.08200879999998)
4-aminocarbonylphenylboronic acid, pinacol ester
C13H18BNO3 (247.13796680000002)
2-Fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
C13H15BFNO2 (247.11798120000003)
3-Aminocarbonylphenylboronic acid, pinacol ester
C13H18BNO3 (247.13796680000002)
1-[1,3]Oxazolo[4,5-b]pyridin-2-ylpiperidine-4-carboxylic acid
6-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-[1,2,5]OXADIAZOLO[3,4-B]PYRIDINE
2-Cyano-3-fluorophenylboronic acid pinacol ester
C13H15BFNO2 (247.11798120000003)
2-Cyano-4-fluorophenylboronic acid pinacol ester
C13H15BFNO2 (247.11798120000003)
5-(3,5-dimethoxyphenethyl)-1H-pyrazol-3-amine
C13H17N3O2 (247.13207020000002)
4-chloro-2-octyl-2H-isothiazol-3-one
C11H18ClNOS (247.07975679999998)
2-BUTYL-1,3-DIOXO-2,3-DIHYDRO-1H-ISOINDOLE-5-CARBOXYLIC ACID
n-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]formamide
C13H18BNO3 (247.13796680000002)
6-[3-(TETRAHYDRO-PYRAN-2-YLOXY)-PROPENYL]-PYRIDINE-2-CARBALDEHYDE
methoxamine hydrochloride
D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013566 - Sympathomimetics D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists D002317 - Cardiovascular Agents > D014662 - Vasoconstrictor Agents
3-(4-METHYLPIPERIDINE-1-CARBONYL)PHENYLBORONIC ACID
C13H18BNO3 (247.13796680000002)
2-((tert-Butoxycarbonyl)amino)-3-ethoxy-3-oxopropanoic acid
C10H17NO6 (247.10558220000001)
Ethyl 1,4-dihydro-6-methoxy-4-oxoquinoline-3-carboxylate
Methyl 2-amino-4-(4-fluorophenyl)pyrimidine-5-carboxylate
C12H10FN3O2 (247.07570120000003)
4-(4-Amino-3-fluorophenoxy)-pyridine-2-carboxylic acid amide
C12H10FN3O2 (247.07570120000003)
CX546
CX546 is a first-generation and selective benzamide-type positive AMPAR modulator. CX546 is a prototypical ampakine agent and has antipsychotic effects[1][2].
2-((TERT-BUTOXYCARBONYL)AMINO)-4-METHOXY-4-OXOBUTANOIC ACID
C10H17NO6 (247.10558220000001)
5-[2-(Cbz-amino)ethyl]-1H-tetrazole
C11H13N5O2 (247.10691980000004)
2-(4-(TRIFLUOROMETHOXY)PHENYL)MORPHOLINE
C11H12F3NO2 (247.08200879999998)
4-(1-Cyanocyclobutylamino)-2-fluoro-n-methylbenzamide
C13H14FN3O (247.11208459999997)
3-[(2-Nitro-1H-imidazol-1-yl)methoxy]-1,2,4-butanetriol
1-Ethyl-6-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
(2S)-2-(carbamoylamino)-3-(1H-indol-3-yl)propanoic acid
4-butyl-3-(phenylmethyl)-1H-1,2,4-triazole-5-thione
2-[(2E)-2-(1,4-dimethylquinolin-2-ylidene)ethylidene]propanedinitrile
2-[[2-(3,5-Dimethyl-1-pyrazolyl)-6-methyl-4-pyrimidinyl]amino]ethanol
Ala-Ala-Ser
C9H17N3O5 (247.11681520000002)
A tripeptide composed of two L-alanyl units and an L-serine joined by peptide linkages.
2-Acetamido-2-(hydroxymethyl)propanedioic acid diethyl ester
C10H17NO6 (247.10558220000001)
(4S)-4-benzyl-3-(2-methylpropanoyl)-1,3-oxazolidin-2-one
1H-Indole-1-acetic acid, trimethylsilyl ester
C13H17NO2Si (247.10285020000003)
Methyl 4-methyl-4-nitroso-2-trimethylsiloxy-pentanoate
1H-Indole-2-carboxylic acid, 1-methyl-, trimethylsilyl ester
C13H17NO2Si (247.10285020000003)
6-(2-Phenoxyethoxy)-1,3,5-Triazine-2,4-Diamine
C11H13N5O2 (247.10691980000004)
(3ar,5r,6s,7r,7ar)-5-(Hydroxymethyl)-2-Propyl-5,6,7,7a-Tetrahydro-3ah-Pyrano[3,2-D][1,3]thiazole-6,7-Diol
(3S)-1-(4-acetylphenyl)-5-oxopyrrolidine-3-carboxylic acid
4-(2,2,2-Trifluoroethyl)-L-phenylalanine
C11H12F3NO2 (247.08200879999998)
2,3,6A,7,8,9-Hexahydro-11H-[1,4]dioxino[2,3-G]pyrrolo[2,1-B][1,3]benzoxazin-11-one
2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)acetamide
C13H17N3O2 (247.13207020000002)
1-Deoxy-11-oxopentalenate
A 5-oxo monocarboxylic acid anion that is the conjugate base of 1-deoxy-11-oxopentalenic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
3-[4-Hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]-2-oxopropanoate
(2S)-2-azaniumyl-5-{[(1S,2R)-1-carboxylato-2-hydroxypropyl]amino}-5-oxopentanoate
(3S)-3-[(3R)-3-hydroxybutanoyl]oxy-4-(trimethylazaniumyl)butanoate
ethyl (7Z)-7-hydroxyimino-1,7a-dihydrocyclopropa[b]chromene-1a-carboxylate
(2S,3R)-3-[(2-nitroimidazol-1-yl)methoxy]butane-1,2,4-triol
1-[(E)-(2,4-dimethylphenyl)methylideneamino]-3-prop-2-enylthiourea
(2E)-1-(4-methoxyphenyl)-3-(morpholin-4-yl)prop-2-en-1-one
N-cyclohexyl-6-methyl-4-thieno[2,3-d]pyrimidinamine
ethyl 1-[2-(dibenzylamino)ethyl]-5-methoxy-1H-indole-2-carboxylate
C13H17N3O2 (247.13207020000002)
5-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]pentanoate
(4R)-4-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxypentanoate
(4R)-3-(Tert-butoxycarbonyl)-4-hydroxymethyl-2,2-dimethyl-1,3-thiazolidine
1H-Indole-2,3-dione, 5,7-dimethyl-1-(trimethylsilyl)-
C13H17NO2Si (247.10285020000003)
1H-Indole-2,3-dione, 5-ethyl-1-(trimethylsilyl)-
C13H17NO2Si (247.10285020000003)
5-(3-Hydroxy-3,4,4-trimethyl-1-pentynyl)pyridine-2-carboxylic acid
1-Acetyl-4-(2-pyridyl)-2-pyrazoline-3-carboxylic acid methyl ester
(3R)-4-(Tert-butylthio)-3-ethoxycarbonylamino-2-butanone
8-Aza-8-phenyl-6,7-benzo-bicyclo(3,2,1)-3-EN-2-one
semustine
L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01A - Alkylating agents > L01AD - Nitrosoureas C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D009676 - Noxae > D000477 - Alkylating Agents D000970 - Antineoplastic Agents
L-gamma-Glu-L-Thr(1-)
A peptide anion obtained by deprotonation of both carboxy groups and protonation of the glutamyl amino group of L-gamma-Glu-L-Thr. Major species at pH 7.3.
O-Malonyl-L-carnitine
C10H17NO6 (247.10558220000001)
An O-acyl-L-carnitine in which the acyl group is specified as malonyl.
(R)-3-hydroxybutyrylcarnitine
An O-hydroxybutyryl-L-carnitine in which the acyl group is specified as 3-hydroxybutyryl.
O-malonylcarnitine
C10H17NO6 (247.10558220000001)
An O-acylcarnitine having malonyl as the acyl substituent.
3-hydroxybutyrylcarnitine
An O-acylcarnitine having 3-hydroxybutyryl as the acyl substituent.
(3S)-3-[(2-carboxyacetyl)oxy]-4-(trimethylazaniumyl)butanoate
C10H17NO6 (247.10558220000001)
O-hydroxybutyryl-L-carnitine
An O-acyl-L-carnitine that is L-carnitine having a hydroxybutyryl group as the acyl substituent in which the positions of the hydroxy group is unspecified.
oscr#9(1-)
A hydroxy fatty acid ascaroside anion resulting from the deprotonation of the carboxy group of oscr#9. The conjugate base of oscr#9 and the major species at pH 7.3.
S-octanoyl-L-cysteine
An L-cysteine derivative obtained by formal condensation of the carboxy group of octanoic acid with the side-chain thiol group of L-cysteine.
CPCCOEt
CPCCOEt is a low affinity, selective, non-competitive and reversible antagonist of metabotropic glutamate receptor 1b (mGluR1b)[1][2].
UBCS039
UBCS039 is the first synthetic, specific Sirtuin 6 (SIRT6) activator, inducing autophagy in human tumor cells, with an EC50 of 38 μM[1].
(1s,2s,4s,8s)-4-methoxy-14-oxa-7-azatetracyclo[6.6.1.0¹,¹¹.0²,⁷]pentadeca-9,11-dien-13-one
4-methoxy-14-oxa-7-azatetracyclo[6.6.1.0¹,¹¹.0²,⁷]pentadeca-9,11-dien-13-one
6-hydroxy-2-(3-hydroxy-3-methylbutyl)-3h-quinolin-4-one
(8s)-4-methoxy-14-oxa-7-azatetracyclo[6.6.1.0¹,¹¹.0²,⁷]pentadeca-9,11-dien-13-one
1-(2h-1,3-benzodioxol-5-yl)-2-(piperidin-1-yl)ethanone
(3r)-3-hydroxy-1-methyl-3-(2-oxopropyl)quinoline-2,4-dione
(5r)-5-[(4s)-8-hydroxy-1h,4h,5h,6h-pyrrolo[2,3-c]azepin-4-yl]-2-imino-1,5-dihydroimidazol-4-ol
C11H13N5O2 (247.10691980000004)
(4s)-4-methoxy-14-oxa-7-azatetracyclo[6.6.1.0¹,¹¹.0²,⁷]pentadeca-9,11-dien-13-one
2-[(1s,9r)-6-oxo-7,11-diazatricyclo[7.3.1.0²,⁷]trideca-2,4-dien-11-yl]ethanimidic acid
C13H17N3O2 (247.13207020000002)
(2z)-3-(2h-1,3-benzodioxol-5-yl)-n-(2-methylpropyl)prop-2-enimidic acid
7-hydroxy-2-(3-hydroxy-3-methylbutyl)-1h-quinolin-4-one
3-(2h-1,3-benzodioxol-5-yl)-n-(2-methylpropyl)prop-2-enimidic acid
2-{6-oxo-7,11-diazatricyclo[7.3.1.0²,⁷]trideca-2,4-dien-11-yl}ethanimidic acid
C13H17N3O2 (247.13207020000002)
(2e)-3-(2h-1,3-benzodioxol-5-yl)-n-(2-methylpropyl)prop-2-enimidic acid
4,11-bis(hydroxymethyl)-2-oxa-8-azatricyclo[7.4.0.0³,⁷]trideca-1(13),6,9,11-tetraen-5-one
(3s,4s)-4,11-bis(hydroxymethyl)-2-oxa-8-azatricyclo[7.4.0.0³,⁷]trideca-1(13),6,9,11-tetraen-5-one
(2r)-2-{[(1s)-1-carboxy-2-methylpropyl]amino}pentanedioic acid
C10H17NO6 (247.10558220000001)
7-hydroxy-2-(3-hydroxy-3-methylbutyl)-3h-quinolin-4-one
(2s)-2-{[(2s)-2-amino-1-hydroxy-3-(c-hydroxycarbonimidoyl)propylidene]amino}butanedioic acid
n-[3-(5-hydroxy-2-imino-3h-imidazol-4-ylidene)propyl]-1h-pyrrole-2-carboxamide
C11H13N5O2 (247.10691980000004)
(2r,4r,8s)-4-methoxy-14-oxa-7-azatetracyclo[6.6.1.0¹,¹¹.0²,⁷]pentadeca-9,11-dien-13-one
2-[(1-carboxy-2-methylpropyl)amino]pentanedioic acid
C10H17NO6 (247.10558220000001)
(5s)-5-[(4s)-8-hydroxy-1h,4h,5h,6h-pyrrolo[2,3-c]azepin-4-yl]-2-imino-1,5-dihydroimidazol-4-ol
C11H13N5O2 (247.10691980000004)
6-hydroxy-2-(3-hydroxy-3-methylbutyl)-1h-quinolin-4-one
(1s,2r,4s,8s)-4-methoxy-14-oxa-7-azatetracyclo[6.6.1.0¹,¹¹.0²,⁷]pentadeca-9,11-dien-13-one
n-{3-[(4z)-5-hydroxy-2-imino-3h-imidazol-4-ylidene]propyl}-1h-pyrrole-2-carboxamide
C11H13N5O2 (247.10691980000004)
