Isocitrate Dehydrogenase (IDH) - 代谢酶/蛋白酶 - 按“信号通路”分类

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N-环丙基-4-(3-噻吩基)-3-[[[[3-(三氟甲基)苯基]氨基]羰基]氨基]-苯磺酰胺

规格或纯度 :

≥98%

CAS号 : 1432660-47-3 Compound CID : 71299339

分子式: C₂₁H₁₈F₃N₃O₃S₂ 分子量: 481.51

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: 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,(H2,25,26,28)

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AGI-5198,突变体异柠檬酸脱氢酶1（mIDH1）的有效抑制剂

规格或纯度 :

Moligand™

≥98%

CAS号 : 1355326-35-0 Compound CID : 56645356

分子式: C₂₇H₃₁FN₄O₂ 分子量: 462.56

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: 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,3-5,11-12,18H2,1-2H3,(H,30,34)

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恩西地平

规格或纯度 :

Moligand™

≥97%

CAS号 : 1446502-11-9 Compound CID : 89683805

分子式: C₁₉H₁₇F₆N₇O 分子量: 473.4

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: 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,(H2,26,27,28,30,31,32)

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艾伏尼布

规格或纯度 :

Moligand™

≥98%

CAS号 : 1448347-49-6 Compound CID : 71657455

分子式: C₂₈H₂₂ClF₃N₆O₃ 分子量: 582.96

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-carboxamide

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: 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/h1-4,7-10,14-15,18,22,25H,5-6,11-12H2,(H,36,40)/t22-,25-/m0/s1

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AG-120（外消旋）

规格或纯度 :

≥98%

CAS号 : 1448346-63-1 Compound CID : 89699486

分子式: C₂₈H₂₂ClF₃N₆O₃ 分子量: 582.96

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-carboxamide

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: 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/h1-4,7-10,14-15,18,22,25H,5-6,11-12H2,(H,36,40)/t22-,25?/m0/s1

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突变型IDH1抑制剂

CAS号 : 1429180-08-4 Compound CID : 71542482

分子式: C₂₅H₃₄N₆O₃ 分子量: 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,11-16H2,1-4H3,(H,26,27,28)/t18-,22+/m0/s1

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IDH-305

规格或纯度 :

≥98%

CAS号 : 1628805-46-8 Compound CID : 90415637

分子式: C₂₃H₂₂F₄N₆O₂ 分子量: 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,11H2,1-3H3,(H,29,31,32)/t13-,14-,18+/m0/s1

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甲磺酸依那西汀

规格或纯度 :

≥97%

CAS号 : 1650550-25-6 Compound CID : 90480031

分子式: C₂₀H₂₁F₆N₇O₄S 分子量: 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,9H2,1-2H3,(H2,26,27,28,30,31,32);1H3,(H,2,3,4)

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BAY 1436032

规格或纯度 :

≥98%

CAS号 : 1803274-65-8 Compound CID : 118310260

分子式: C₂₆H₃₀F₃N₃O₃ 分子量: 489.53

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: 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,5,11-12,14-15H2,1-3H3,(H,30,31)(H,33,34)/t16-,19+/m0/s1

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DS-1001b (DS 1001)

规格或纯度 :

≥98%

CAS号 : 1898207-64-1 Compound CID : 139600317

分子式: C₂₉H₂₉Cl₃FN₃O₄ 分子量: 608.92

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: 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/h4-11H,1-3H3,(H,32,33);5H2,1-3H3/b8-7+;

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奥塔西德尼（FT-2102）

规格或纯度 :

Moligand™

≥98%

CAS号 : 1887014-12-1 Compound CID : 118955396

分子式: C₁₈H₁₅ClN₄O₂ 分子量: 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

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AGI-5198

规格或纯度 :

Moligand™

10mM in DMSO

CAS号 : 1355326-35-0 Compound CID : 56645356

分子式: C₂₇H₃₁FN₄O₂ 分子量: 462.56

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: 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,3-5,11-12,18H2,1-2H3,(H,30,34)

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