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Isocitrate Dehydrogenase (IDH)

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  1. Enasidenib, Inhibitor of isocitrate dehydrogenase (NADP(+)) 2
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    Enasidenib, Inhibitor of isocitrate dehydrogenase (NADP(+)) 2
    CAS: 1446502-11-9 EC Number: 107-597-8 Formula: C19H17F6N7O Molecular Weight: 473.4
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥97%
    In Stock Item #: E174257
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    IUPAC Name
    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-ol
    SMILES
    CC(C)(CNC1=NC(=NC(=N1)C2=NC(=CC=C2)C(F)(F)F)NC3=CC(=NC=C3)C(F)(F)F)O
    InChIKey
    DYLUUSLLRIQKOE-UHFFFAOYSA-N
    InChI
    1S/C19H17F6N7O/c1-17(2,33)9-27-15-30-14(11-4-3-5-12(29-11)18(20,21)22)31-16(32-15)28-10-6-7-26-13(8-10)19(23,24)25/h3-8,33H,9H2,1-2H3,(H2,26,27,28,30,show more
    Synonyms
    1802003-09-3 | Enasidenib [USAN:INN] | IDHIFA | SCHEMBL15102202 | 2-methyl-1-[[4-[6-(trifluoromethyl)pyridin-2-yl]-6-...
  2. AG-120, Isocitrate dehydrogenase [NADP] cytoplasmic inhibitor
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    AG-120, Isocitrate dehydrogenase [NADP] cytoplasmic inhibitor
    CAS: 1448347-49-6 Formula: C28H22ClF3N6O3 Molecular Weight: 582.96
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%
    In Stock Item #: A302896
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    IUPAC Name
    (2S)-N-[(1S)-1-(2-chlorophenyl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoethyl]-1-(4-cyanopyridin-2-yl)-N-(5-fluoropyridin-3-yl)-5-oxopyrrolidine-2-carbshow 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#N
    InChIKey
    WIJZXSAJMHAVGX-DHLKQENFSA-N
    InChI
    1S/C28H22ClF3N6O3/c29-21-4-2-1-3-20(21)25(26(40)36-18-11-28(31,32)12-18)37(19-10-17(30)14-34-15-19)27(41)22-5-6-24(39)38(22)23-9-16(13-33)7-8-35-23/h1show more
    Synonyms
    Ivosidenib (USAN/INN) | AC-32624 | US9850277, Compound 176 | (2S)-N-{(1S)-1-(2-chlorophenyl)-2-[(3,3-difluorocyclobut...
  3. TC-E 5008
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    TC-E 5008
    CAS: 50405-58-8 PubChem CID: 13590964 Formula: C13H13NO2 Molecular Weight: 215.25
    Out of Stock Item #: T288914
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    IUPAC Name
    6-benzyl-1-hydroxy-4-methylpyridin-2-one
    SMILES
    CC1=CC(=O)N(C(=C1)CC2=CC=CC=C2)O
    InChIKey
    AVLZAVSZOAQKRC-UHFFFAOYSA-N
    InChI
    1S/C13H13NO2/c1-10-7-12(14(16)13(15)8-10)9-11-5-3-2-4-6-11/h2-8,16H,9H2,1H3
    Synonyms
    SYC 435 | 1-Hydroxy-4-methyl-6-(phenylmethyl)-2-(1H)pyridinone
  4. AGI-5198, Inhibitor of isocitrate dehydrogenase (NADP(+)) 1
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    AGI-5198, Inhibitor of isocitrate dehydrogenase (NADP(+)) 1
    CAS: 1355326-35-0 EC Number: 806-071-1 Formula: C27H31FN4O2 Molecular Weight: 462.56
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%
    In Stock Item #: A126546
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    IUPAC Name
    N-cyclohexyl-2-(3-fluoro-N-[2-(2-methylimidazol-1-yl)acetyl]anilino)-2-(2-methylphenyl)acetamide
    SMILES
    CC1=CC=CC=C1C(C(=O)NC2CCCCC2)N(C3=CC(=CC=C3)F)C(=O)CN4C=CN=C4C
    InChIKey
    FNYGWXSATBUBER-UHFFFAOYSA-N
    InChI
    1S/C27H31FN4O2/c1-19-9-6-7-14-24(19)26(27(34)30-22-11-4-3-5-12-22)32(23-13-8-10-21(28)17-23)25(33)18-31-16-15-29-20(31)2/h6-10,13-17,22,26H,3-5,11-12,show more
    Synonyms
    HMS3653K15 | N-cyclohexyl-2-(N-(3-fluorophenyl)-2-(2-methyl-1H-imidazol-1-yl)acetamido)-2-o-tolylacetamide | AKOS0266...
  5. AGI-6780
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    AGI-6780
    CAS: 1432660-47-3 Formula: C21H18F3N3O3S2 Molecular Weight: 481.51
    ≥98%
    In Stock Item #: A124933
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    IUPAC Name
    1-[5-(cyclopropylsulfamoyl)-2-thiophen-3-ylphenyl]-3-[3-(trifluoromethyl)phenyl]urea
    SMILES
    C1CC1NS(=O)(=O)C2=CC(=C(C=C2)C3=CSC=C3)NC(=O)NC4=CC=CC(=C4)C(F)(F)F
    InChIKey
    CCAWRGNYALGPQH-UHFFFAOYSA-N
    InChI
    1S/C21H18F3N3O3S2/c22-21(23,24)14-2-1-3-16(10-14)25-20(28)26-19-11-17(32(29,30)27-15-4-5-15)6-7-18(19)13-8-9-31-12-13/h1-3,6-12,15,27H,4-5H2,(H2,25,26show more
    Synonyms
    AC-35210 | AGI 6780 | SW220033-1 | N-cyclopropyl-4-(thiophen-3-yl)-3-(3-(3-(trifluoromethyl)phenyl)ureido)benzenesulf...
  6. Vorasidenib (AG-881), IDH1/IDH2 inhibitor
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    Vorasidenib (AG-881), IDH1/IDH2 inhibitor
    CAS: 1644545-52-7 PubChem CID: 117817422 Formula: C14H13ClF6N6 Molecular Weight: 414.74
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%
    In Stock Item #: V305105
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    IUPAC Name
    6-(6-chloropyridin-2-yl)-2-N,4-N-bis[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine
    SMILES
    CC(C(F)(F)F)NC1=NC(=NC(=N1)C2=NC(=CC=C2)Cl)NC(C)C(F)(F)F
    InChIKey
    QCZAWDGAVJMPTA-RNFRBKRXSA-N
    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/s1
    Synonyms
    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] | ...
  7. AG-120 (racemic)
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    AG-120 (racemic)
    CAS: 1448346-63-1 Formula: C28H22ClF3N6O3 Molecular Weight: 582.96
    10mM in DMSO
    In Stock Item #: A421656
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    Technical Identifiers
    IUPAC Name
    (2S)-N-[1-(2-chlorophenyl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoethyl]-1-(4-cyanopyridin-2-yl)-N-(5-fluoropyridin-3-yl)-5-oxopyrrolidine-2-carboxamishow 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#N
    InChIKey
    WIJZXSAJMHAVGX-XADRRFQNSA-N
    InChI
    1S/C28H22ClF3N6O3/c29-21-4-2-1-3-20(21)25(26(40)36-18-11-28(31,32)12-18)37(19-10-17(30)14-34-15-19)27(41)22-5-6-24(39)38(22)23-9-16(13-33)7-8-35-23/h1show more
    Synonyms
    Glycinamide,1-​(4-​cyano-​2-​pyridinyl)​-​5-​oxo-​L-​prolyl-​2-​(2-​chlorophenyl)​-​N-​(3,​3-​difluorocyclobutyl)​-​N2-...
  8. AG-120 (racemic)
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    AG-120 (racemic)
    CAS: 1448346-63-1 Formula: C28H22ClF3N6O3 Molecular Weight: 582.96
    ≥98%
    In Stock Item #: A412505
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    Technical Identifiers
    IUPAC Name
    (2S)-N-[1-(2-chlorophenyl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoethyl]-1-(4-cyanopyridin-2-yl)-N-(5-fluoropyridin-3-yl)-5-oxopyrrolidine-2-carboxamishow 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#N
    InChIKey
    WIJZXSAJMHAVGX-XADRRFQNSA-N
    InChI
    1S/C28H22ClF3N6O3/c29-21-4-2-1-3-20(21)25(26(40)36-18-11-28(31,32)12-18)37(19-10-17(30)14-34-15-19)27(41)22-5-6-24(39)38(22)23-9-16(13-33)7-8-35-23/h1show more
    Synonyms
    Glycinamide,1-​(4-​cyano-​2-​pyridinyl)​-​5-​oxo-​L-​prolyl-​2-​(2-​chlorophenyl)​-​N-​(3,​3-​difluorocyclobutyl)​-​N2-...
  9. AGI-5198, Inhibitor of isocitrate dehydrogenase (NADP(+)) 1
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    AGI-5198, Inhibitor of isocitrate dehydrogenase (NADP(+)) 1
    CAS: 1355326-35-0 EC Number: 806-071-1 Formula: C27H31FN4O2 Molecular Weight: 462.56
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. 10mM in DMSO
    In Stock Item #: A421351
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    Technical Identifiers
    IUPAC Name
    N-cyclohexyl-2-(3-fluoro-N-[2-(2-methylimidazol-1-yl)acetyl]anilino)-2-(2-methylphenyl)acetamide
    SMILES
    CC1=CC=CC=C1C(C(=O)NC2CCCCC2)N(C3=CC(=CC=C3)F)C(=O)CN4C=CN=C4C
    InChIKey
    FNYGWXSATBUBER-UHFFFAOYSA-N
    InChI
    1S/C27H31FN4O2/c1-19-9-6-7-14-24(19)26(27(34)30-22-11-4-3-5-12-22)32(23-13-8-10-21(28)17-23)25(33)18-31-16-15-29-20(31)2/h6-10,13-17,22,26H,3-5,11-12,show more
    Synonyms
    HMS3653K15 | N-cyclohexyl-2-(N-(3-fluorophenyl)-2-(2-methyl-1H-imidazol-1-yl)acetamido)-2-o-tolylacetamide | AKOS0266...
  10. AGI-6780
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    AGI-6780
    CAS: 1432660-47-3 Formula: C21H18F3N3O3S2 Molecular Weight: 481.51
    10mM in DMSO
    In Stock Item #: A421598
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    Technical Identifiers
    IUPAC Name
    1-[5-(cyclopropylsulfamoyl)-2-thiophen-3-ylphenyl]-3-[3-(trifluoromethyl)phenyl]urea
    SMILES
    C1CC1NS(=O)(=O)C2=CC(=C(C=C2)C3=CSC=C3)NC(=O)NC4=CC=CC(=C4)C(F)(F)F
    InChIKey
    CCAWRGNYALGPQH-UHFFFAOYSA-N
    InChI
    1S/C21H18F3N3O3S2/c22-21(23,24)14-2-1-3-16(10-14)25-20(28)26-19-11-17(32(29,30)27-15-4-5-15)6-7-18(19)13-8-9-31-12-13/h1-3,6-12,15,27H,4-5H2,(H2,25,26show more
    Synonyms
    AC-35210 | AGI 6780 | SW220033-1 | N-cyclopropyl-4-(thiophen-3-yl)-3-(3-(3-(trifluoromethyl)phenyl)ureido)benzenesulf...
  11. BAY 1436032 - ≥98% CAS No(1803274-65-8) by Aladdin Scientific
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    BAY 1436032, Isocitrate dehydrogenase [NADP] cytoplasmic inhibitor
    CAS: 1803274-65-8 Formula: C26H30F3N3O3 Molecular Weight: 489.53
    Solid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%
    Out of Stock Item #: B414041
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    Technical Identifiers
    IUPAC Name
    3-[2-[4-(trifluoromethoxy)anilino]-1-[(1R,5R)-3,3,5-trimethylcyclohexyl]benzimidazol-5-yl]propanoic acid
    SMILES
    CC1CC(CC(C1)(C)C)N2C3=C(C=C(C=C3)CCC(=O)O)N=C2NC4=CC=C(C=C4)OC(F)(F)F
    InChIKey
    RNMAUIMMNAHKQR-QFBILLFUSA-N
    InChI
    1S/C26H30F3N3O3/c1-16-12-19(15-25(2,3)14-16)32-22-10-4-17(5-11-23(33)34)13-21(22)31-24(32)30-18-6-8-20(9-7-18)35-26(27,28)29/h4,6-10,13,16,19H,5,11-12show more
    Synonyms
    BAY-1436032 | US10344004, Test compound Table 3 | SCHEMBL17009632 | BAY 1436032 | s8530 | 3-(2-((4-(trifluoromethoxy)...
  12. DS-1001b (DS 1001), Isocitrate dehydrogenase [NADP] cytoplasmic inhibitor
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    DS-1001b (DS 1001), Isocitrate dehydrogenase [NADP] cytoplasmic inhibitor
    CAS: 1898207-64-1 PubChem CID: 139600317 Formula: C29H29Cl3FN3O4 Molecular Weight: 608.92
    ≥98%
    In Stock Item #: D414241
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    Technical Identifiers
    IUPAC Name
    (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-amine
    SMILES
    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)N
    InChIKey
    UPPAAWQBZQBNIE-USRGLUTNSA-N
    InChI
    1S/C25H18Cl3FN2O4.C4H11N/c1-12-11-31(17-6-4-5-13(19(12)17)7-8-18(32)33)24(34)21-22(30-35-23(21)25(2,3)29)20-15(27)9-14(26)10-16(20)28;1-4(2,3)5/h4-11Hshow more
    Synonyms
    C29H29Cl3FN3O4 | 2-Methylpropan-2-amine (E)-3-(1-(5-(2-fluoropropan-2-yl)-3-(2,4,6-trichlorophenyl)isoxazole-4-carbon...
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