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Isocitrate Dehydrogenase (IDH)
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Enasidenib, Inhibitor of isocitrate dehydrogenase (NADP(+)) 2Cas Number: 1446502-11-9Formula: C19H17F6N7O Poids moléculaire: 473.4Nom IUPAC: 2-methyl-1-[[4-[6-(trifluoromethyl)pyridin-2-yl]-6-[[2-(trifluoromethyl)pyridin-4-yl]amino]-1,3,5-triazin-2-yl]amino]propan-2-olSMILES: CC(C)(CNC1=NC(=NC(=N1)C2=NC(=CC=C2)C(F)(F)F)NC3=CC(=NC=C3)C(F)(F)F)OInChIKey: DYLUUSLLRIQKOE-UHFFFAOYSA-NInChI: show more
Synonymes: 1802003-09-3 | Enasidenib [USAN:INN] | IDHIFA | SCHEMBL15102202 | 2-methyl-1-[[4-[6-(trifluoromethyl)pyridin-2-yl]-6-... -
AG-120, Isocitrate dehydrogenase [NADP] cytoplasmic inhibitorCas Number: 1448347-49-6Formula: C28H22ClF3N6O3 Poids moléculaire: 582.96Nom IUPAC: show more
SMILES: C1CC(=O)N(C1C(=O)N(C2=CC(=CN=C2)F)C(C3=CC=CC=C3Cl)C(=O)NC4CC(C4)(F)F)C5=NC=CC(=C5)C#NInChIKey: WIJZXSAJMHAVGX-DHLKQENFSA-NInChI: show more Synonymes: Ivosidenib (USAN/INN) | AC-32624 | US9850277, Compound 176 | (2S)-N-{(1S)-1-(2-chlorophenyl)-2-[(3,3-difluorocyclobut...
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TC-E 5008Cas Number: 50405-58-8 Compound CID: 13590964Formula: C13H13NO2 Poids moléculaire: 215.25Nom IUPAC: 6-benzyl-1-hydroxy-4-methylpyridin-2-oneSMILES: CC1=CC(=O)N(C(=C1)CC2=CC=CC=C2)OInChIKey: AVLZAVSZOAQKRC-UHFFFAOYSA-NInChI: InChI=1S/C13H13NO2/c1-10-7-12(14(16)13(15)8-10)9-11-5-3-2-4-6-11/h2-8,16H,9H2,1H3Synonymes: SYC 435 | 1-Hydroxy-4-methyl-6-(phenylmethyl)-2-(1H)pyridinone
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AGI-5198, Inhibitor of isocitrate dehydrogenase (NADP(+)) 1Cas Number: 1355326-35-0Formula: C27H31FN4O2 Poids moléculaire: 462.56Nom IUPAC: N-cyclohexyl-2-(3-fluoro-N-[2-(2-methylimidazol-1-yl)acetyl]anilino)-2-(2-methylphenyl)acetamideSMILES: CC1=CC=CC=C1C(C(=O)NC2CCCCC2)N(C3=CC(=CC=C3)F)C(=O)CN4C=CN=C4CInChIKey: FNYGWXSATBUBER-UHFFFAOYSA-NInChI: show more Synonymes: HMS3653K15 | N-cyclohexyl-2-(N-(3-fluorophenyl)-2-(2-methyl-1H-imidazol-1-yl)acetamido)-2-o-tolylacetamide | AKOS0266...
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AGI-6780Cas Number: 1432660-47-3Formula: C21H18F3N3O3S2 Poids moléculaire: 481.51Nom IUPAC: 1-[5-(cyclopropylsulfamoyl)-2-thiophen-3-ylphenyl]-3-[3-(trifluoromethyl)phenyl]ureaSMILES: C1CC1NS(=O)(=O)C2=CC(=C(C=C2)C3=CSC=C3)NC(=O)NC4=CC=CC(=C4)C(F)(F)FInChIKey: CCAWRGNYALGPQH-UHFFFAOYSA-NInChI: show more Synonymes: AC-35210 | AGI 6780 | SW220033-1 | N-cyclopropyl-4-(thiophen-3-yl)-3-(3-(3-(trifluoromethyl)phenyl)ureido)benzenesulf...
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Vorasidenib (AG-881), IDH1/IDH2 inhibitorCas Number: 1644545-52-7 Compound CID: 117817422Formula: C14H13ClF6N6 Poids moléculaire: 414.74Nom IUPAC: 6-(6-chloropyridin-2-yl)-2-N,4-N-bis[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamineSMILES: CC(C(F)(F)F)NC1=NC(=NC(=N1)C2=NC(=CC=C2)Cl)NC(C)C(F)(F)FInChIKey: QCZAWDGAVJMPTA-RNFRBKRXSA-NInChI: InChI=1S/C14H13ClF6N6/c1-6(13(16,17)18)22-11-25-10(8-4-3-5-9(15)24-8)26-12(27-11)23-7(2)14(19,20)21/h3-7H,1-2H3,(H2,22,23,25,26,27)/t6-,7-/m1/s1Synonymes: 6-(6-chloropyridin-2-yl)-2-N,4-N-bis[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine | AG 881 [WHO-DD] | ...
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AG-120 (racemic)Cas Number: 1448346-63-1Formula: C28H22ClF3N6O3 Poids moléculaire: 582.96Nom IUPAC: show more
SMILES: C1CC(=O)N(C1C(=O)N(C2=CC(=CN=C2)F)C(C3=CC=CC=C3Cl)C(=O)NC4CC(C4)(F)F)C5=NC=CC(=C5)C#NInChIKey: WIJZXSAJMHAVGX-XADRRFQNSA-NInChI: show more Synonymes: Glycinamide,1-(4-cyano-2-pyridinyl)-5-oxo-L-prolyl-2-(2-chlorophenyl)-N-(3,3-difluorocyclobutyl)-N2-...
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AG-120 (racemic)Cas Number: 1448346-63-1Formula: C28H22ClF3N6O3 Poids moléculaire: 582.96Nom IUPAC: show more
SMILES: C1CC(=O)N(C1C(=O)N(C2=CC(=CN=C2)F)C(C3=CC=CC=C3Cl)C(=O)NC4CC(C4)(F)F)C5=NC=CC(=C5)C#NInChIKey: WIJZXSAJMHAVGX-XADRRFQNSA-NInChI: show more Synonymes: Glycinamide,1-(4-cyano-2-pyridinyl)-5-oxo-L-prolyl-2-(2-chlorophenyl)-N-(3,3-difluorocyclobutyl)-N2-...
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AGI-5198, Inhibitor of isocitrate dehydrogenase (NADP(+)) 1Cas Number: 1355326-35-0Formula: C27H31FN4O2 Poids moléculaire: 462.56Nom IUPAC: N-cyclohexyl-2-(3-fluoro-N-[2-(2-methylimidazol-1-yl)acetyl]anilino)-2-(2-methylphenyl)acetamideSMILES: CC1=CC=CC=C1C(C(=O)NC2CCCCC2)N(C3=CC(=CC=C3)F)C(=O)CN4C=CN=C4CInChIKey: FNYGWXSATBUBER-UHFFFAOYSA-NInChI: show more Synonymes: AGI-5198|1355326-35-0|IDH-C35|N-cyclohexyl-2-(N-(3-fluorophenyl)-2-(2-methyl-1H-imidazol-1-yl)acetamido)-2-(o-tolyl)a...
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AGI-6780Cas Number: 1432660-47-3Formula: C21H18F3N3O3S2 Poids moléculaire: 481.51Nom IUPAC: 1-[5-(cyclopropylsulfamoyl)-2-thiophen-3-ylphenyl]-3-[3-(trifluoromethyl)phenyl]ureaSMILES: C1CC1NS(=O)(=O)C2=CC(=C(C=C2)C3=CSC=C3)NC(=O)NC4=CC=CC(=C4)C(F)(F)FInChIKey: CCAWRGNYALGPQH-UHFFFAOYSA-NInChI: show more Synonymes: AGI-6780|1432660-47-3|AGI6780|N-cyclopropyl-4-(thiophen-3-yl)-3-(3-(3-(trifluoromethyl)phenyl)ureido)benzenesulfonami...
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BAY 1436032, Isocitrate dehydrogenase [NADP] cytoplasmic inhibitorCas Number: 1803274-65-8Formula: C26H30F3N3O3 Poids moléculaire: 489.53Nom IUPAC: 3-[2-[4-(trifluoromethoxy)anilino]-1-[(1R,5R)-3,3,5-trimethylcyclohexyl]benzimidazol-5-yl]propanoic acidSMILES: CC1CC(CC(C1)(C)C)N2C3=C(C=C(C=C3)CCC(=O)O)N=C2NC4=CC=C(C=C4)OC(F)(F)FInChIKey: RNMAUIMMNAHKQR-QFBILLFUSA-NInChI: show more Synonymes: BAY-1436032 | US10344004, Test compound Table 3 | SCHEMBL17009632 | BAY 1436032 | s8530 | 3-(2-((4-(trifluoromethoxy)...
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DS-1001b (DS 1001), Isocitrate dehydrogenase [NADP] cytoplasmic inhibitorCas Number: 1898207-64-1 Compound CID: 139600317Formula: C29H29Cl3FN3O4 Poids moléculaire: 608.92Nom IUPAC: (E)-3-[1-[5-(2-fluoropropan-2-yl)-3-(2,4,6-trichlorophenyl)-1,2-oxazole-4-carbonyl]-3-methylindol-4-yl]prop-2-enoic acid;2-methylpropan-2-amineSMILES: CC1=CN(C2=CC=CC(=C12)C=CC(=O)O)C(=O)C3=C(ON=C3C4=C(C=C(C=C4Cl)Cl)Cl)C(C)(C)F.CC(C)(C)NInChIKey: UPPAAWQBZQBNIE-USRGLUTNSA-NInChI: show more Synonymes: C29H29Cl3FN3O4 | 2-Methylpropan-2-amine (E)-3-(1-(5-(2-fluoropropan-2-yl)-3-(2,4,6-trichlorophenyl)isoxazole-4-carbon...
