Exact Mass: 397.14776820000003
Exact Mass Matches: 397.14776820000003
Found 467 metabolites which its exact mass value is equals to given mass value 397.14776820000003,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
acutumine
C19H24ClNO6 (397.12920740000004)
Acutumine is an alkaloid. Acutumine is a natural product found in Hypserpa nitida, Sinomenium acutum, and other organisms with data available. Dauricumine is a natural product found in Hypserpa nitida, Sinomenium acutum, and Menispermum dauricum with data available.
Aureothin
A C-nitro compound that is (3Z)-3-[(2E)-2-methyl-3-(4-nitrophenyl)prop-2-en-1-ylidene]tetrahydrofuran which is substituted by a 6-methoxy-3,5-dimethyl-4-oxo-4H-pyran-2-yl group at position 5. It is isolated from the soil bacterium, Streptomyces thioluteus and exhibits antitumor, antifungal, and insecticidal activities.
Deoxydesulfoglucohirsutin
C16H31NO6S2 (397.15927059999996)
Apatinib
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors D000970 - Antineoplastic Agents
Simulansamide
Simulansamide is found in fruits. Simulansamide is an alkaloid from root bark of Zanthoxylum simulans (Szechuan pepper
Navarixin
C21H23N3O5 (397.16376280000003)
Apatinib
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors D000970 - Antineoplastic Agents
1-(4-Acetyl-2-pyrrolidin-1-ylmethyl-piperazin-1-yl)-2-(3,4-dichloro-phenyl)-ethanone
C19H25Cl2N3O2 (397.13237300000003)
CI-1044
2-((6-Amino-9H-purin-9-yl)methyl)-5-methyl-3-o-tolylquinazolin-4(3H)-one
C22H19N7O (397.16510040000003)
6-[[3-Fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]-1-methylquinolin-2-one
1,2,4-Triazolo(4,3-b)pyridazine, 7-cyclobutyl-3-(2,6-difluorophenyl)-6-((1-methyl-1H-1,2,4-triazol-5-yl)methoxy)-
MK0343 (MRK-409) is an orally bioavailable GABAA receptor subtype-selective partial agonist. MK0343 is a non-sedating anxiolytic[1].
Abexinostat
C21H23N3O5 (397.16376280000003)
D004791 - Enzyme Inhibitors > D056572 - Histone Deacetylase Inhibitors C471 - Enzyme Inhibitor > C1946 - Histone Deacetylase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent
Radiprodil
C21H20FN3O4 (397.14377720000005)
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent Radiprodil (RGH-896) is an orally active and selective NMDA NR2B antagonist. A potential therapeutic agent in treatment of neuropathic pain and possibly other chronic pain conditions[1].
Reduced ketanserin
Rivoglitazone
C20H19N3O4S (397.1096214000001)
C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent > C98241 - Thiazolidinedione Antidiabetic Agent
4-Hydroxy-5-[[4-[(6-methoxy-1-methylbenzimidazol-2-yl)methoxy]phenyl]methyl]-3H-1,3-thiazol-2-one
C20H19N3O4S (397.1096214000001)
4-Methoxy-3,3',5-trihydroxybibenzyl
4-methoxy-3,3,5-trihydroxybibenzyl is a member of the class of compounds known as aminobenzenesulfonamides. Aminobenzenesulfonamides are organic compounds containing a benzenesulfonamide moiety with an amine group attached to the benzene ring. 4-methoxy-3,3,5-trihydroxybibenzyl is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 4-methoxy-3,3,5-trihydroxybibenzyl can be found in black crowberry, which makes 4-methoxy-3,3,5-trihydroxybibenzyl a potential biomarker for the consumption of this food product.
8-methylthiooctyldesulfoglucosinolate
C16H31NO6S2 (397.15927059999996)
8-methylthiooctyldesulfoglucosinolate is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 8-methylthiooctyldesulfoglucosinolate can be found in a number of food items such as hedge mustard, borage, bog bilberry, and garden onion (variety), which makes 8-methylthiooctyldesulfoglucosinolate a potential biomarker for the consumption of these food products.
[7-hydroxy-1-(1-hydroxyethyl)-8-methyl-6-oxo-1,2,3,8,10,11-hexahydro-6H-benzo[cd]pyrano[3,4-g]pyrrolo[1,2-a]indol-10-yl]acetic acid
Vilmorrianone
C23H27NO5 (397.18891320000006)
A natural product found in Aconitum vilmorinianum and Delphinium denudatum.
methyl 2-[1-(4-fluorobenzyl)-1h-indazole-3-carboxamido]-3,3-dimethylbutanoate
(E)-N-feruloyltyramine diacetate|diacetyl N-trans-feruloyl tyramine|Diacetyl-N-feruloyltyramin|N-trans-feruloyal tyramine diacetate|N-trans-feruloyl tyramine diacetate|N-trans-feruloyltyramine diacetate
2,3-dihydroxybenzoyl-D-argininyl-L-serine|N-[N-(2,3-dihydroxybenzoyl)-arginyl]-serine|N-[N-(2,3-dihydroxybenzoyl)-D-arginyl]-L-serine|vanchrobactin
7-beta-D-glucopyranosyl-3-[(Z)-4-hydroxy-3-methyl-2-butenyl]isoguanine|saikachinoside A
(S)-6-acetyl-1,2,3-trimethoxy-5,6,6a,7-tetrahydro-4H-benzo[de][1,3]dioxolo[4,5:4,5]benzo[1,2-g]quinoline|3-Methoxy-N-acetylnornantenine|N-De-Me,N-Ac-(??)-Phoebine
(+)-N-(methoxycarbonyl)-N-norisocorydione
C21H19NO7 (397.11614640000005)
(2S)-2-{[(1-acetyl-9H-beta-carbolin-3-yl)carbonyl]amino}-5-methoxy-5-oxopentanoic acid|dichotomine G|N-[(1-acetyl-9H-pyrido[3,4-b]indol-3-yl)carbonyl]-L-glutamic acid 5-methyl ester|tunicoidine E
C20H19N3O6 (397.12737940000005)
(13bS)-13,16-dimethoxy-4,5,7,8,13b,14-hexahydro-[1,3]dioxino[4,5:7,8]isoquino[3,2-a][1,3]dioxolo[4,5-g]isoquinoline|Bractavin|rac.-Orientalidin
2-Methylthio-trans-zeatin Riboside (2MeStZR)
C16H23N5O5S (397.14198280000005)
C19H27NO8_2-(4,5-Dihydroxy-7,7a-dimethyl-2-oxo-4,5,6,7,7a,7b-hexahydronaphtho[1,2-b]oxiren-1a(2H)-yl)-2-propen-1-yl 4-amino-2,3-dihydroxybutanoate
2-methoxy-3,5-dimethyl-6-[(4Z)-4-[(E)-2-methyl-3-(4-nitrophenyl)prop-2-enylidene]oxolan-2-yl]pyran-4-one
CI-1044
CONFIDENCE standard compound; INTERNAL_ID 1305; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6780; ORIGINAL_PRECURSOR_SCAN_NO 6778 D004791 - Enzyme Inhibitors > D010726 - Phosphodiesterase Inhibitors > D058988 - Phosphodiesterase 4 Inhibitors CONFIDENCE standard compound; INTERNAL_ID 1305; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6785; ORIGINAL_PRECURSOR_SCAN_NO 6781 CONFIDENCE standard compound; INTERNAL_ID 1305; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6803; ORIGINAL_PRECURSOR_SCAN_NO 6801 CONFIDENCE standard compound; INTERNAL_ID 1305; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6797; ORIGINAL_PRECURSOR_SCAN_NO 6796 CONFIDENCE standard compound; INTERNAL_ID 1305; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6814; ORIGINAL_PRECURSOR_SCAN_NO 6812 CONFIDENCE standard compound; INTERNAL_ID 1305; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6816; ORIGINAL_PRECURSOR_SCAN_NO 6813
Ala Gly His Asn
Ala Gly Asn His
Ala His Gly Asn
Ala His Asn Gly
Ala Asn Gly His
Ala Asn His Gly
Ala Asn Pro Pro
Ala Pro Asn Pro
Ala Pro Pro Asn
Gly Ala His Asn
Gly Ala Asn His
Gly Gly His Gln
Gly Gly Gln His
Gly His Ala Asn
Gly His Gly Gln
Gly His Asn Ala
Gly His Gln Gly
Gly Asn Ala His
Gly Asn His Ala
Gly Pro Pro Gln
Gly Pro Gln Pro
Gly Gln Gly His
Gly Gln His Gly
Gly Gln Pro Pro
His Ala Gly Asn
His Ala Asn Gly
His Gly Ala Asn
His Gly Gly Gln
His Gly Asn Ala
His Gly Gln Gly
His Asn Ala Gly
His Asn Gly Ala
His Gln Gly Gly
Asn Ala Gly His
Asn Ala His Gly
Asn Ala Pro Pro
Asn Gly Ala His
Asn Gly His Ala
Asn His Ala Gly
Asn His Gly Ala
Asn Pro Ala Pro
Asn Pro Pro Ala
Pro Ala Asn Pro
Pro Ala Pro Asn
Pro Gly Pro Gln
Pro Gly Gln Pro
Pro Asn Ala Pro
Pro Asn Pro Ala
Pro Pro Ala Asn
Pro Pro Gly Gln
Pro Pro Asn Ala
Pro Pro Gln Gly
Pro Gln Gly Pro
Pro Gln Pro Gly
Gln Gly Gly His
Gln Gly His Gly
Gln Gly Pro Pro
Gln His Gly Gly
Gln Pro Gly Pro
Gln Pro Pro Gly
S-adenosyl-4-methylthio-2-oxobutanoate
A sulfonium betaine that is the conjugate base of S-adenosyl-4-methylthio-2-oxobutanoic acid, arising from deprotonation of the carboxy group.
Dibutanoyllecithin
Dibutyroyl lecithin
Trp-Ala-OH
C20H19N3O6 (397.12737940000005)
Abu-Trp-OH
C20H19N3O6 (397.12737940000005)
(4R,4aR,7S,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7-ol,sulfuric acid
C18H23NO7S (397.11951680000004)
Bz-Arg-4-Abz-OH hydrochloride salt
C20H23N5O4 (397.17499580000003)
A-443654
A-443654 is a pan-Akt inhibitor and has equal potency against Akt1, Akt2, or Akt3 within cells (Ki=160 pM)[1].
1-[3-(9,9-dimethylfluoren-2-yl)phenyl]isoquinoline
2-[7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl]-1,3-dimethyl-1H-benzimidazolium chloride
[(1S)-1-(5-Fluoro-3,4-dihydro-4-oxo-3-phenyl-2-quinazolinyl)propyl]carbamic acid 1,1-dimethylethyl ester
Chromonar hydrochloride
C20H28ClNO5 (397.1655908000001)
C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents
6-TRITYL-5,6,7,7A-TETRAHYDROTHIENO[2,3-C]PYRIDIN-2(4H)-ONE
C26H23NOS (397.15002680000003)
4-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[(2-methylpropan-2-yl)oxy]butanoic acid
C23H27NO5 (397.18891320000006)
5,6,7,7a-Tetrahydro-5-(triphenylmethyl)thien[3,2-c]pyridinone
C26H23NOS (397.15002680000003)
3-(2,2-diphenylethyl)-5-(2-piperidin-1-ylethyl)-1,2,4-oxadiazole,hydrochloride
C23H28ClN3O (397.19207880000005)
1,4-bis(phenylmethoxycarbonyl)piperazine-2-carboxylate
2-[4-[2-hydroxy-2-(3-phenoxypropylamino)ethoxy]phenoxy]acetic acid,hydrochloride
C19H24ClNO6 (397.12920740000004)
Timiperone
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent D005765 - Gastrointestinal Agents > D000932 - Antiemetics
H-Ala-Pro-AFC
C18H18F3N3O4 (397.12493440000003)
H-Ala-Pro-AFC is a biological active peptide. (This is a fluorescent peptide, Abs/Em=380/500nm. It is a substrate for dipeptidyl peptidase IV (DPP IV) and Xaa-Pro dipeptidase.)
N,N-DIMETHYL-N-(2-[METHACRYLOYL]ETHYL)-N-(1-OCTYL)AMMONIUM IODIDE
C16H32INO2 (397.14776820000003)
4-[2,6-bis(2,4-dimethylphenyl)-1H-1,3,5-triazin-4-ylidene]-3-hydroxycyclohexa-2,5-dien-1-one
1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(4-phenylmethoxyphenyl)pyrrolidine-3-carboxylic acid
C23H27NO5 (397.18891320000006)
Glycopyrrolate
A - Alimentary tract and metabolism > A03 - Drugs for functional gastrointestinal disorders > A03A - Drugs for functional gastrointestinal disorders > A03AB - Synthetic anticholinergics, quaternary ammonium compounds R - Respiratory system > R03 - Drugs for obstructive airway diseases > R03B - Other drugs for obstructive airway diseases, inhalants > R03BB - Anticholinergics D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018680 - Cholinergic Antagonists D002491 - Central Nervous System Agents Glycopyrrolate (Glycopyrronium bromide), a quaternary ammonium derivative, is a muscarinic receptor antagonist. Glycopyrrolate has bronchoprotective effect and produces a beneficial effect on blood pressure. Glycopyrrolate can be used for the research of bronchial diseases[1][2][3].
4-((2-(5-CHLORO-2-FLUOROPHENYL)-6,7-DIHYDRO-5H-CYCLOPENTA[D]PYRIMIDIN-4-YL)AMINO)-N-METHYLNICOTINAMIDE
SD-06
C20H20ClN5O2 (397.13054500000004)
4,5,6,7-Tetrahydro-5-(triphenylmethyl)-thieno[3,2-c]pyridin-2(3H)-one
C26H23NOS (397.15002680000003)
4-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(2-methylpropan-2-yl)oxy]butanoic acid
C23H27NO5 (397.18891320000006)
Beryllium bisbenzo[h]quinolin-10-olate
C26H16BeN2O2 (397.13335459999996)
FMOC-(3S,4S, 5S)-4-AMINO-3-HYDROXY-5-METHYL HEPTANOIC ACID
C23H27NO5 (397.18891320000006)
6,7-dimethoxy-1-(3,4,5-triethoxyphenyl)isoquinoline
C23H27NO5 (397.18891320000006)
2,6-bis((S)-4-benzyl-4,5-dihydrooxazol-2-yl)pyridine
1-[(2-Cyano-4-biphenylyl)methyl]-2-ethoxy-1H-benzimidazole-7-carboxylic acid
6-(2-Chloroethoxy)-N-(3-ethynylphenyl)-7-(2-methoxyethoxy)-4-quinazolinamine
C21H20ClN3O3 (397.11931200000004)
N-([1,1-biphenyl]-4-yl)-[1,1:4,1-terphenyl]-4-amine
β-D-Glucopyranose, 1,6-anhydro-2-azido-2-deoxy-4-O-[(4-Methoxyphenyl)Methyl]-3-O-(phenylMethyl)-
C21H23N3O5 (397.16376280000003)
ETHYL 5-((7-ETHOXY-7-OXOHEPTYL)OXY)-4-METHOXY-2-NITROBENZOATE
4-(4-Methoxy-4-biphenylylsulfonylaminomethyl)benzoic acid
C21H19NO5S (397.0983884000001)
Glycopyrronium bromide
A - Alimentary tract and metabolism > A03 - Drugs for functional gastrointestinal disorders > A03A - Drugs for functional gastrointestinal disorders > A03AB - Synthetic anticholinergics, quaternary ammonium compounds R - Respiratory system > R03 - Drugs for obstructive airway diseases > R03B - Other drugs for obstructive airway diseases, inhalants > R03BB - Anticholinergics C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent > C29704 - Antimuscarinic Agent D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018680 - Cholinergic Antagonists D002491 - Central Nervous System Agents
2-(DIBENZYLAMINO)-4-HYDROXY-3-METHOXY&
C23H24ClNO3 (397.14446240000007)
Butanoic acid, 3-(1,1-dimethylethoxy)-4-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (3S)
C23H27NO5 (397.18891320000006)
2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(thian-4-yl)acetic acid
C22H23NO4S (397.13477180000007)
3-(2-aminoquinazolin-6-yl)-1-(3,3-dimethylindolin-6-yl)-4-methylpyridin-2(1H)-one
3-[5-(1h-Imidazol-1-Yl)-7-Methyl-1h-Benzimidazol-2-Yl]-4-[(Pyridin-2-Ylmethyl)amino]pyridin-2(1h)-One
C22H19N7O (397.16510040000003)
Bradanicline hydrochloride
C78272 - Agent Affecting Nervous System > C47796 - Cholinergic Agonist > C73579 - Nicotinic Agonist
4-O-[2-(Acetylamino)-2-deoxy-beta-D-glucopyranosyl]-beta-D-glucopyranuronic acid
methyl 2-acetamido-2-deoxy-4-O-beta-D-galactopyranosyl-beta-D-glucopyranoside
C15H27NO11 (397.15840319999995)
Platensimycin B3
C23H27NO5 (397.18891320000006)
A polycyclic cage that is the decarboxy derivative of platensimycin. It is isolated from Streptomyces platensis.
7-Hydroxy-3-(4-methoxyphenoxy)-2-methyl-8-(morpholin-4-ylmethyl)chromen-4-one
5-[(4-Phenyl-1-piperazinyl)-thiophen-2-ylmethyl]-6-thiazolo[3,2-b][1,2,4]triazolol
C19H19N5OS2 (397.10309639999997)
2-[8-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-dimethyl-2,6-dioxo-7-purinyl]acetic acid methyl ester
C20H23N5O4 (397.17499580000003)
2-[[3-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]-N-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
C20H19N3O4S (397.1096214000001)
2-methylthio-N(6)-(cis-4-hydroxy-Delta(2)-isopentenyl)adenosine
C16H23N5O5S (397.14198280000005)
8-hydroxy-N-(3-(imidazo[1,2-a]pyridin-2-yl)phenyl)-2-oxo-2H-chromene-3-carboxamide
C23H15N3O4 (397.10625100000004)
Pyrrolidinium, 3-(((2S)-cyclopentylhydroxyphenylacetyl)oxy)-1,1-dimethyl-, bromide, (3R)-
methyl 2-(acetylamino)-2-deoxy-4-O-beta-D-galactopyranosyl-alpha-D-glucopyranoside
C15H27NO11 (397.15840319999995)
2-{2-[(3,5-dimethylphenyl)amino]pyrimidin-4-yl}-N-[(1S)-2-hydroxy-1-methylethyl]-4-methyl-1,3-thiazole-5-carboxamide
(2S)-4-(2,5-Difluorophenyl)-N-methyl-2-phenyl-N-piperidin-4-YL-2,5-dihydro-1H-pyrrole-1-carboxamide
C23H25F2N3O (397.19655839999996)
2-{4-[2-(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-D]pyrimidin-5-YL)-ethyl]-benzoylamino}-3-methyl-butyric acid
C20H23N5O4 (397.17499580000003)
Abexinostat
C21H23N3O5 (397.16376280000003)
D004791 - Enzyme Inhibitors > D056572 - Histone Deacetylase Inhibitors C471 - Enzyme Inhibitor > C1946 - Histone Deacetylase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent
Rivoglitazone
C20H19N3O4S (397.1096214000001)
C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent > C98241 - Thiazolidinedione Antidiabetic Agent
24-Ethoxy-13-methyl-5,7,19,21,25-pentaoxa-13-azahexacyclo[12.11.0.02,10.04,8.015,23.018,22]pentacosa-2,4(8),9,15(23),16,18(22)-hexaene
2-Acetamido-2-deoxy-3-O-beta-D-glucopyranuronosyl-beta-D-galactopyranose
Reduced ketanserin
8-Methylthiooctyl-desulfoglucosinolate
C16H31NO6S2 (397.15927059999996)
8-methylthiooctyldesulfoglucosinolate
C16H31NO6S2 (397.15927059999996)
Vanchrobactin
A catechol-type natural product that is composed of 2,3-dihydroxybenzoic acid, D-arginine and L-serine joined in sequence by peptide linkages. It is a siderophore synthesized by the bacterial fish pathogen Vibrio anguillarum.
1-(3,4-Dihydroxyphenyl)-2-[[5-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]ethanone
C20H19N3O4S (397.1096214000001)
2-Acetamido-2-deoxy-3-O-beta-D-glucopyranuronosyl-beta-D-glucopyranose
2-(8-methoxy-2-methyl-quinolin-4-yl)sulfanyl-N-[(E)-(2-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]ethanehydrazide
C20H19N3O4S (397.1096214000001)
N-[3-(4-phenyl-2-thiazolyl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]acetamide
1-(3,4-Dihydroxyphenyl)-2-[[5-(3-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]ethanone
C20H19N3O4S (397.1096214000001)
N-[3-chloro-4-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)phenyl]-2-pyridinecarboxamide
C21H20ClN3O3 (397.11931200000004)
4-[4-[5-(3,4,5-Trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]morpholine
C21H23N3O5 (397.16376280000003)
[4-(2-benzimidazolylidene)-3-imino-2-phenyl-1H-pyridazin-6-yl]-thiophen-2-ylmethanone
C22H15N5OS (397.09972600000003)
2-[[[5,7-bis(ethylamino)-[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]thio]methyl]-1H-quinazolin-4-one
N-(4-carbamoylphenyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide
6-Amino-2-ethyl-8-[2-(trifluoromethyl)phenyl]-1,6,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile
2-(4-Ethoxyphenyl)-3,4-dimethyl-7-[2-(1-pyrrolidinyl)ethylthio]pyrazolo[3,4-d]pyridazine
C21H27N5OS (397.19362120000005)
2-[[4,6-Bis(1-piperidinyl)-1,3,5-triazin-2-yl]thio]-1-phenylethanone
C21H27N5OS (397.19362120000005)
1-(3,4-Dihydroxyphenyl)-2-[[5-(4-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]ethanone
C20H19N3O4S (397.1096214000001)
Isonicotinic acid N-[1-[2-(4-fluoro-phenyl)-ethyl]-2,4,6-trioxo-tetrahydro-pyrimidin-(5E)-ylidenemethyl]-hydrazide
4-(3-chlorophenyl)-3-(2-hydroxyphenyl)-5-(3-methoxypropyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
C21H20ClN3O3 (397.11931200000004)
2-[5-(3,4-diethoxyphenyl)-2-tetrazolyl]-N-(3-methoxyphenyl)acetamide
C20H23N5O4 (397.17499580000003)
2-[[2-[[1-(2,4-Dimethylphenyl)-5-tetrazolyl]thio]-1-oxoethyl]amino]benzoic acid methyl ester
5-[2-(3,4-Dimethoxyphenyl)ethylamino]-2-[(2-fluorophenoxy)methyl]-4-oxazolecarbonitrile
C21H20FN3O4 (397.14377720000005)
[5-(3-Chlorophenyl)-3-isoxazolyl]-[4-(2-methoxyphenyl)-1-piperazinyl]methanone
C21H20ClN3O3 (397.11931200000004)
2-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
C23H28ClN3O (397.19207880000005)
4-[[2-[(4-Methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]benzoic acid ethyl ester
2-amino-6-[(4-methoxyanilino)methylidene]-7-oxo-4-phenyl-4H-1-benzopyran-3-carbonitrile
4-cinnamyl-N-(3,5-dimethoxyphenyl)-1-piperazinecarbothioamide
C22H27N3O2S (397.18238820000005)
3-[3-[4-(3-Chlorophenyl)-1-piperazinyl]-3-oxopropyl]-4-pyrido[2,3-d]pyrimidinone
C20H20ClN5O2 (397.13054500000004)
N-[2-(4-morpholinyl)ethyl]-4-(phenylmethyl)-2,3-dihydro-1,4-benzothiazine-6-carboxamide
C22H27N3O2S (397.18238820000005)
4-(2-Fluorophenyl)-1-[[1-[(4-methoxyphenyl)methyl]-5-tetrazolyl]methyl]-4-piperidinol
C21H24FN5O2 (397.19139359999997)
5-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-methoxyphenyl)-4-triazolecarboxamide
C20H23N5O4 (397.17499580000003)
3-[(4-methoxyphenyl)methyl]-N-(3-methoxypropyl)-2,4-dioxo-1H-quinazoline-7-carboxamide
C21H23N3O5 (397.16376280000003)
(2R,3S,4S,5R,6R)-6-[(2R,3R,4R,5R,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
1-[2-[[(3,4-Difluoroanilino)-oxomethyl]amino]-2-methyl-1-oxopropyl]-4-piperidinecarboxylic acid ethyl ester
C19H25F2N3O4 (397.18130340000005)
3-[(2E)-2-(2,4-dihydroxybenzylidene)hydrazinyl]-6-(3,4-dimethoxybenzyl)-1,2,4-triazin-5(2H)-one
(3Z)-1-(4-benzoylpyridin-1-ium-1-yl)-3-(1,3,3-trimethylindol-2-ylidene)propan-2-one
C26H25N2O2+ (397.19159299999995)
(1R,2aS,8bS)-N-(4-fluorophenyl)-1-(hydroxymethyl)-4-(1-oxobutyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinoline-2-carboxamide
(1S,2aR,8bR)-N-(4-fluorophenyl)-1-(hydroxymethyl)-4-(1-oxobutyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinoline-2-carboxamide
[(2S,3S)-3-phenyl-6-(2-thiazolylmethyl)-1-(3,3,3-trifluoropropyl)-1,6-diazaspiro[3.3]heptan-2-yl]methanol
C19H22F3N3OS (397.14355980000005)
(1R,2aR,8bR)-N-(4-fluorophenyl)-1-(hydroxymethyl)-4-(1-oxobutyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinoline-2-carboxamide
(1S,2aS,8bS)-N-(4-fluorophenyl)-1-(hydroxymethyl)-4-(1-oxobutyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinoline-2-carboxamide
[(2R,3R)-3-phenyl-6-(2-thiazolylmethyl)-1-(3,3,3-trifluoropropyl)-1,6-diazaspiro[3.3]heptan-2-yl]methanol
C19H22F3N3OS (397.14355980000005)
[(2S,3R)-3-phenyl-6-(2-thiazolylmethyl)-1-(3,3,3-trifluoropropyl)-1,6-diazaspiro[3.3]heptan-2-yl]methanol
C19H22F3N3OS (397.14355980000005)
alpha-D-GlcNAc-(1->4)-D-GlcA
A carbohydrate acid derivative that consists of D-glucuronic acid having an N-acetyl-alpha-D-glucosaminyl residue attached at position 4. An intermediate glycan in the degradation of heparan sulfate.
2-acetamido-2-deoxy-4-O-alpha-L-idopyranuronosyl-alpha-D-glucopyranose
2-(3,4-dimethylphenyl)-N-[(E)-(1,5-dimethyl-1H-pyrazol-4-yl)methylidene]quinoline-4-carbohydrazide
(4S)-6-chloro-2-methyl-4-(4-methylphenyl)-3-(2-piperidin-1-ylethyl)quinazolin-4-ol
C23H28ClN3O (397.19207880000005)
2-(4-(4-Methoxyphenyl)-6-phenyl-2-pyrimidinylamino)benzoic acid
N-[[(3,4-Dihydro-6-methoxy-2,5,7,8-tetramethyl-2H-1-benzopyran)-2-yl]acetyl]anthanilic acid
C23H27NO5 (397.18891320000006)
[1-[2-Aminoethoxy(hydroxy)phosphoryl]oxy-3-propanoyloxypropan-2-yl] octanoate
(2-Pentanoyloxy-3-propanoyloxypropyl) 2-(trimethylazaniumyl)ethyl phosphate
(3-Acetyloxy-2-hexanoyloxypropyl) 2-(trimethylazaniumyl)ethyl phosphate
[1-[2-Aminoethoxy(hydroxy)phosphoryl]oxy-3-butanoyloxypropan-2-yl] heptanoate
[1-Acetyloxy-3-[2-aminoethoxy(hydroxy)phosphoryl]oxypropan-2-yl] nonanoate
[1-[2-Aminoethoxy(hydroxy)phosphoryl]oxy-3-pentanoyloxypropan-2-yl] hexanoate
(3R)-5-(2-fluorophenyl)-3-(1H-indol-3-ylmethyl)-1-methyl-3H-1,4-benzodiazepin-2-one
IC-87114
C22H19N7O (397.16510040000003)
beta-D-Galp-(1->4)-beta-D-GlcpNAc-OMe
C15H27NO11 (397.15840319999995)
A methyl glycoside that is beta-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranose in which the anomeric hydroxy group is replaced by methoxy.
beta-D-GlcpA-(1->3)-beta-D-GalpNAc
An amino disaccharide consisting of N-acetyl-beta-D-galactosamine having a beta-D-glucuronosyl residue attached at the 3-position.
BE-54238A
An organic heteropentacyclic compound that is isolated from Streptomyces sp. A54238. It exhibits inhibitory efficacy against the growth of human tumour cells.
beta-D-GlcpA-(1->3)-beta-D-GlcpNAc
An amino disaccharide consisting of N-acetyl-beta-D-glucosamine having a beta-D-glucuronosyl residue attached at the 3-position.
beta-D-Galp-(1->4)-alpha-D-GlcpNAc-OMe
C15H27NO11 (397.15840319999995)
A methyl glycoside that is beta-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-alpha-D-glucopyranose in which the anomeric hydroxy group is replaced by methoxy.
beta-D-GlcpA-(1->3)-D-GlcpNAc
An amino disaccharide consisting of N-acetyl-D-glucosamine having a beta-D-glucuronosyl residue attached at the 3-position.
Benoxathian (hydrochloride)
C19H24ClNO4S (397.1114494000001)
Benoxathian hydrochloride is a potent α1 adrenoceptor antagonist, can be used for researching anorexia[1].
FAAH-IN-6
FAAH-IN-6 (compound 21d) is a potent, orally active and cross the blood-brain barrier fatty acid amide hydrolase (FAAH) inhibitor with IC50s of 0.72, 0.28 nM for hFAAH, rFAAH, respectively. FAAH-IN-6 shows dose-dependent analgesic efficacy in animal models of both neuropathic and inflammatory pain[1].
HIF-1α-IN-2 (hydrochloride)
C21H20ClN3OS (397.1015540000001)
HIF-1α-IN-2 hydrochloride is an effective HIF-1α inhibitor with anticancer potencies (IC50s of 28 nM and 15 nM in MDA-MB-231 and MiaPaCa-2 cells, respectively). HIF-1α-IN-2 hydrochloride suppresses HIF-1α expression by blocking transcription and protein translation[1].
N-Demethyl MK-6884
N-Demethyl MK-6884 (compound 34) is a potent M4 mAChR allosteric modulator. N-Demethyl MK-6884 can be used in the studies of alzheimer's disease and other diseases mediated by the M4 mAChR[1].
Sipagladenant
C20H19N3O4S (397.1096214000001)
Sipagladenant (Compound I) is an orally active adenosine receptor A2A inverse agonist[1]. Sipagladenant can be used in frontal lobe dysfunction research[2].
(3e)-3-({6-[2-(dimethylamino)ethyl]-2h-1,3-benzodioxol-5-yl}methylidene)-6,7-dimethoxy-2-benzofuran-1-one
(1s,1's,5s,6's,8's)-8'-chloro-5-hydroxy-2',3',4-trimethoxy-10'-methyl-10'-azaspiro[cyclopentane-1,7'-tricyclo[4.3.3.0¹,⁶]dodecane]-2',3-diene-2,4'-dione
C19H24ClNO6 (397.12920740000004)
3-[4-(acetyloxy)-3-methoxyphenyl]-n-{2-[4-(acetyloxy)phenyl]ethyl}prop-2-enimidic acid
8-benzoyl-2-(5-ethylfuran-2-yl)-6,8,9-trihydroxy-3-methyl-1-oxa-7-azaspiro[4.4]nona-2,6-dien-4-one
C21H19NO7 (397.11614640000005)
(3z,7z,9s,12r,14r)-12-hydroxy-14-[(2s)-2-hydroxy-2-[(4r)-2-hydroxy-4,5-dihydro-1,3-thiazol-4-yl]ethyl]-4,9-dimethyl-1-oxacyclotetradeca-3,7-dien-2-one
C20H31NO5S (397.19228360000005)
10,24-dimethoxy-6,8,20,22-tetraoxa-14-azahexacyclo[12.11.0.0³,¹².0⁴,⁹.0¹⁷,²⁵.0¹⁹,²³]pentacosa-3(12),4(9),10,17(25),18,23-hexaene
(2r,3r,4s,5s,6r)-2-{2-hydroxy-3-[(2z)-4-hydroxy-3-methylbut-2-en-1-yl]-6-iminopurin-7-yl}-6-(hydroxymethyl)oxane-3,4,5-triol
(2s,4e)-4-[(2z)-2-{[(1s)-1-carboxy-2-(1h-indol-3-yl)ethyl]imino}ethylidene]-2,3-dihydro-1h-pyridine-2,6-dicarboxylic acid
C20H19N3O6 (397.12737940000005)