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Isocitrate Dehydrogenase (IDH)

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  1. Enasidenib Mesylate, Isocitrate dehydrogenase [NADP], mitochondrial inhibitor
      Grade & Purity: 
    • ≥97%
    Cas Number: 1650550-25-6
    Formula:  C20H21F6N7O4S        Molecular Weight: 569.48
    IUPAC Name:  methanesulfonic acid;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.CS(=O)(=O)O
    InChIKey: ORZHZQZYWXEDDL-UHFFFAOYSA-N
    InChI:  InChI=1S/C19H17F6N7O.CH4O3S/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;1-5(2,3)4/h3-8,33H,9H2show more
    Synonyms: HY-18690A | D11044 | Enasidenib mesylate | ENASIDENIB MESYLATE [WHO-DD] | ORZHZQZYWXEDDL-UHFFFAOYSA-N | Enasidenib me...
  2. Enasidenib Mesylate, Isocitrate dehydrogenase [NADP], mitochondrial inhibitor
      Grade & Purity: 
    • 10mM in DMSO
    Cas Number: 1650550-25-6
    Formula:  C20H21F6N7O4S        Molecular Weight: 569.48
    IUPAC Name:  methanesulfonic acid;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.CS(=O)(=O)O
    InChIKey: ORZHZQZYWXEDDL-UHFFFAOYSA-N
    InChI:  InChI=1S/C19H17F6N7O.CH4O3S/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;1-5(2,3)4/h3-8,33H,9H2show more
    Synonyms: Enasidenib mesylate|1650550-25-6|AG-221 mesylate|Enasidenib mesilate|Enasidenib methanesulfonate|Enasidenib (mesylate...
  3. IDH-305
      Grade & Purity: 
    • ≥98%
    Cas Number: 1628805-46-8        Compound CID:  90415637
    Formula:  C23H22F4N6O2        Molecular Weight: 490.45
    IUPAC Name:  (4R)-4-[(1S)-1-fluoroethyl]-3-[2-[[(1S)-1-[4-methyl-5-[2-(trifluoromethyl)pyridin-4-yl]pyridin-2-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
    SMILES:  CC1=CC(=NC=C1C2=CC(=NC=C2)C(F)(F)F)C(C)NC3=NC=CC(=N3)N4C(COC4=O)C(C)F
    InChIKey: DCGDPJCUIKLTDU-SUNYJGFJSA-N
    InChI:  InChI=1S/C23H22F4N6O2/c1-12-8-17(30-10-16(12)15-4-6-28-19(9-15)23(25,26)27)14(3)31-21-29-7-5-20(32-21)33-18(13(2)24)11-35-22(33)34/h4-10,13-14,18H,11Hshow more
    Synonyms: 2-OXAZOLIDINONE, 4-((1S)-1-FLUOROETHYL)-3-(2-(((1S)-1-(4-METHYL-2'-(TRIFLUOROMETHYL)(3,4'-BIPYRIDIN)-6-YL)ETHYL)AMINO...
  4. Mutant IDH1 inhibitor
    Cas Number: 1429180-08-4        Compound CID:  71542482
    Formula:  C25H34N6O3        Molecular Weight: 466.6
    IUPAC Name:  (4S)-3-[2-[[(1S)-1-[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
    SMILES:  CC(C)C1COC(=O)N1C2=NC(=NC=C2)NC(C)C3=CC=C(C=C3)CN4CCN(CC4)C(=O)C
    InChIKey: BEWLUEOYYPKPQL-PGRDOPGGSA-N
    InChI:  InChI=1S/C25H34N6O3/c1-17(2)22-16-34-25(33)31(22)23-9-10-26-24(28-23)27-18(3)21-7-5-20(6-8-21)15-29-11-13-30(14-12-29)19(4)32/h5-10,17-18,22H,11-16H2,show more
  5. Olutasidenib (FT-2102), Isocitrate dehydrogenase [NADP] cytoplasmic inhibitor
    Cas Number: 1887014-12-1
    Formula:  C18H15ClN4O2         Molecular Weight: 354.79
    IUPAC Name:  5-[[(1S)-1-(6-chloro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-1-methyl-6-oxopyridine-2-carbonitrile
    SMILES:  CC(C1=CC2=C(C=CC(=C2)Cl)NC1=O)NC3=CC=C(N(C3=O)C)C#N
    InChIKey: NEQYWYXGTJDAKR-JTQLQIEISA-N
    InChI:  InChI=1S/C18H15ClN4O2/c1-10(21-16-6-4-13(9-20)23(2)18(16)25)14-8-11-7-12(19)3-5-15(11)22-17(14)24/h3-8,10,21H,1-2H3,(H,22,24)/t10-/m0/s1
    Synonyms: D87221 | 0T4IMT8S5Z | FT-2102FT-2102 | AC-36556 | UNII-0T4IMT8S5Z | 5-[[(1S)-1-(6-Chloro-2-oxo-1,2-dihydroquinolin-3-...
  6. Olutasidenib (FT-2102), Isocitrate dehydrogenase [NADP] cytoplasmic inhibitor
    Cas Number: 1887014-12-1
    Formula:  C18H15ClN4O2         Molecular Weight: 354.79
    IUPAC Name:  5-[[(1S)-1-(6-chloro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-1-methyl-6-oxopyridine-2-carbonitrile
    SMILES:  CC(C1=CC2=C(C=CC(=C2)Cl)NC1=O)NC3=CC=C(N(C3=O)C)C#N
    InChIKey: NEQYWYXGTJDAKR-JTQLQIEISA-N
    InChI:  InChI=1S/C18H15ClN4O2/c1-10(21-16-6-4-13(9-20)23(2)18(16)25)14-8-11-7-12(19)3-5-15(11)22-17(14)24/h3-8,10,21H,1-2H3,(H,22,24)/t10-/m0/s1
    Synonyms: Olutasidenib|1887014-12-1|FT-2102|Rezlidhia|0T4IMT8S5Z|Olutasidenib [USAN]|5-[[(1S)-1-(6-chloro-2-oxo-1H-quinolin-3-y...
  7. Vorasidenib (AG-881), IDH1/IDH2 inhibitor
    Cas Number: 1644545-52-7        Compound CID:  117817422
    Formula:  C14H13ClF6N6        Molecular Weight: 414.74
    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:  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] | ...
  8. LY3410738, Inhibitor of isocitrate dehydrogenase (NADP(+)) 1;Inhibitor of isocitrate dehydrogenase (NADP(+)) 2
    Cas Number: 2230263-60-0        Compound CID:  135125140
    IUPAC Name:  7-[[(1S)-1-[4-[(1S)-2-cyclopropyl-1-(4-prop-2-enoylpiperazin-1-yl)ethyl]phenyl]ethyl]amino]-1-ethyl-4H-pyrimido[4,5-d][1,3]oxazin-2-one
    SMILES:  CCN1c2nc(ncc2COC1=O)N[C@@H](C)c1ccc(cc1)[C@H](CC1CC1)N1CCN(CC1)C(=O)C=C
    InChIKey: AFGYODUJVVOZAX-CYFREDJKSA-N
    InChI:  InChI=1S/C28H36N6O3/c1-4-25(35)33-14-12-32(13-15-33)24(16-20-6-7-20)22-10-8-21(9-11-22)19(3)30-27-29-17-23-18-37-28(36)34(5-2)26(23)31-27/h4,8-11,17,1show more
    Synonyms: example 2 [US11001596B2];LY-3410738
  9. safusidenib, Inhibitor of isocitrate dehydrogenase (NADP(+)) 1
    Cas Number: 1898206-17-1        Compound CID:  130306983
    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
    SMILES:  FC(C)(C)c1c(c(no1)c1c(cc(cc1Cl)Cl)Cl)C(=O)n1cc(c2c(cccc12)/C=C/C(=O)O)C
    InChIKey: BOOMBLZEOHXPPX-BQYQJAHWSA-N
    InChI:  InChI=1S/C25H18Cl3FN2O4/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/h4-11H,1-3H3,(H,3show more
    Synonyms: 2-Propenoic acid, 3-[1-[[5-(1-fluoro-1-methylethyl)-3-(2,4,6-trichlorophenyl)-4-isoxazolyl]carbonyl]-3-methyl-1H-indo...
  10. GSK864
      Grade & Purity: 
    • ≥99%
    Cas Number: 1816331-66-4        Compound CID:  91864701
    Formula:  C30H31FN6O4        Molecular Weight: 558.6
    IUPAC Name:  (7S)-1-[(4-fluorophenyl)methyl]-3-N-(4-methoxy-3,5-dimethylphenyl)-7-methyl-5-(1H-pyrrole-2-carbonyl)-4,6-dihydropyrazolo[4,3-c]pyridine-3,7-dicarboxashow more
    SMILES:  CC1=CC(=CC(=C1OC)C)NC(=O)C2=NN(C3=C2CN(CC3(C)C(=O)N)C(=O)C4=CC=CN4)CC5=CC=C(C=C5)F
    InChIKey: DUCNNEYLFOQFSW-PMERELPUSA-N
    InChI:  InChI=1S/C30H31FN6O4/c1-17-12-21(13-18(2)25(17)41-4)34-27(38)24-22-15-36(28(39)23-6-5-11-33-23)16-30(3,29(32)40)26(22)37(35-24)14-19-7-9-20(31)10-8-19show more
  11. Mutant IDH1-IN-4
      Grade & Purity: 
    • ≥99%
    Cas Number: 1416270-18-2        Compound CID:  71119107
    Formula:  C25H34N4O3        Molecular Weight: 438.56
    IUPAC Name:  8-cyclopropyl-6-[(3R)-3-cyclopropyl-4-(3-methoxypropanoyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
    SMILES:  CC1(CC2=C(CO1)C(=NC(=C2C#N)N3CCN(C(C3)C4CC4)C(=O)CCOC)C5CC5)C
    InChIKey: GNDMXEAGAZOBEM-NRFANRHFSA-N
    InChI:  InChI=1S/C25H34N4O3/c1-25(2)12-18-19(13-26)24(27-23(17-6-7-17)20(18)15-32-25)28-9-10-29(22(30)8-11-31-3)21(14-28)16-4-5-16/h16-17,21H,4-12,14-15H2,1-3show more
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