细胞色素P450 - 代谢酶/蛋白酶 - 按“信号通路”分类 - 小分子和化合物库

阿比特龙

规格或纯度 :

≥99%

CAS号: 154229-19-3

分子式: C₂₄H₃₁NO 分子量: 349.52

IUPAC Name: (3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-pyridin-3-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol

SMILES: CC12CCC(CC1=CCC3C2CCC4(C3CC=C4C5=CN=CC=C5)C)O

InChIKey: GZOSMCIZMLWJML-VJLLXTKPSA-N

InChI: 1S/C24H31NO/c1-23-11-9-18(26)14-17(23)5-6-19-21-8-7-20(16-4-3-13-25-15-16)24(21,2)12-10-22(19)23/h3-5,7,13,15,18-19,21-22,26H,6,8-12,14H2,1-2H3/t18-,19-,21-,22-,23-,24+/m0/s1

详情

查看价格关闭

收藏夹比较

丙酸氯倍他索

规格或纯度 :

Moligand™

≥98%

CAS号: 25122-46-7 EC号: 246-634-3

分子式: C₂₅H₃₂ClFO₅ 分子量: 466.97

IUPAC Name: [(8S,9R,10S,11S,13S,14S,16S,17R)-17-(2-chloroacetyl)-9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate

SMILES: CCC(=O)OC1(C(CC2C1(CC(C3(C2CCC4=CC(=O)C=CC43C)F)O)C)C)C(=O)CCl

InChIKey: CBGUOGMQLZIXBE-XGQKBEPLSA-N

InChI: 1S/C25H32ClFO5/c1-5-21(31)32-25(20(30)13-26)14(2)10-18-17-7-6-15-11-16(28)8-9-22(15,3)24(17,27)19(29)12-23(18,25)4/h8-9,11,14,17-19,29H,5-7,10,12-13H2,1-4H3/t14-,17-,18-,19-,22-,23-,24-,25-/m0/s1

详情

查看价格关闭

收藏夹比较

可比司他 (GS-9350)

规格或纯度 :

Moligand™

≥98%

CAS号: 1004316-88-4

分子式: C₄₀H₅₃N₇O₅S₂ 分子量: 776.02

IUPAC Name: 1,3-thiazol-5-ylmethyl N-[(2R,5R)-5-[[(2S)-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-4-morpholin-4-ylbutanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate

SMILES: CC(C)C1=NC(=CS1)CN(C)C(=O)NC(CCN2CCOCC2)C(=O)NC(CCC(CC3=CC=CC=C3)NC(=O)OCC4=CN=CS4)CC5=CC=CC=C5

InChIKey: ZCIGNRJZKPOIKD-CQXVEOKZSA-N

InChI: 1S/C40H53N7O5S2/c1-29(2)38-43-34(27-53-38)25-46(3)39(49)45-36(16-17-47-18-20-51-21-19-47)37(48)42-32(22-30-10-6-4-7-11-30)14-15-33(23-31-12-8-5-9-13-31)44-40(50)52-26-35-24-41-28-54-35/h4-13,24,27-29,See more

详情

查看价格关闭

收藏夹比较

PF-4981517,CYP3A4抑制剂

规格或纯度 :

≥98%

CAS号: 1390637-82-7

分子式: C₂₆H₃₂N₈ 分子量: 456.59

IUPAC Name: 1-methyl-3-[1-methyl-5-(4-methylphenyl)pyrazol-4-yl]-4-[(3S)-3-piperidin-1-ylpyrrolidin-1-yl]pyrazolo[3,4-d]pyrimidine

SMILES: CC1=CC=C(C=C1)C2=C(C=NN2C)C3=NN(C4=C3C(=NC=N4)N5CCC(C5)N6CCCCC6)C

InChIKey: WDWIMDKOXZZYHH-FQEVSTJZSA-N

InChI: 1S/C26H32N8/c1-18-7-9-19(10-8-18)24-21(15-29-31(24)2)23-22-25(32(3)30-23)27-17-28-26(22)34-14-11-20(16-34)33-12-5-4-6-13-33/h7-10,15,17,20H,4-6,11-14,16H2,1-3H3/t20-/m0/s1

详情

查看价格关闭

收藏夹比较

伊曲康唑

规格或纯度 :

Moligand™

≥98%(HPLC)

CAS号: 84625-61-6

分子式: C₃₅H₃₈Cl₂N₈O₄ 分子量: 705.63

IUPAC Name: 2-butan-2-yl-4-[4-[4-[4-[[2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one

SMILES: CCC(C)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OCC5COC(O5)(CN6C=NC=N6)C7=C(C=C(C=C7)Cl)Cl

InChIKey: VHVPQPYKVGDNFY-UHFFFAOYSA-N

InChI: 1S/C35H38Cl2N8O4/c1-3-25(2)45-34(46)44(24-40-45)29-7-5-27(6-8-29)41-14-16-42(17-15-41)28-9-11-30(12-10-28)47-19-31-20-48-35(49-31,21-43-23-38-22-39-43)32-13-4-26(36)18-33(32)37/h4-13,18,22-25,31H,3,14See more

详情

查看价格关闭

收藏夹比较

酮康唑

规格或纯度 :

Moligand™

≥98%

CAS号: 65277-42-1 EC号: 265-667-4

分子式: C₂₆H₂₈Cl₂N₄O₄ 分子量: 531.43

IUPAC Name: 1-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone

SMILES: CC(=O)N1CCN(CC1)C2=CC=C(C=C2)OCC3COC(O3)(CN4C=CN=C4)C5=C(C=C(C=C5)Cl)Cl

InChIKey: XMAYWYJOQHXEEK-OZXSUGGESA-N

InChI: 1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m0/s1

详情

查看价格关闭

收藏夹比较

1-氨基苯并三唑

规格或纯度 :

≥98%

CAS号: 1614-12-6

分子式: C₆H₆N₄ 分子量: 134.14

IUPAC Name: benzotriazol-1-amine

SMILES: C1=CC=C2C(=C1)N=NN2N

InChIKey: JCXKHYLLVKZPKE-UHFFFAOYSA-N

InChI: 1S/C6H6N4/c7-10-6-4-2-1-3-5(6)8-9-10/h1-4H,7H2

详情

查看价格关闭

收藏夹比较

莫沙必利

规格或纯度 :

Moligand™

≥95%

CAS号: 112885-41-3 EC号: 601-210-0

分子式: C₂₁H₂₅ClFN₃O₃ 分子量: 421.9

IUPAC Name: 4-amino-5-chloro-2-ethoxy-N-[[4-[(4-fluorophenyl)methyl]morpholin-2-yl]methyl]benzamide

SMILES: CCOC1=CC(=C(C=C1C(=O)NCC2CN(CCO2)CC3=CC=C(C=C3)F)Cl)N

InChIKey: YPELFRMCRYSPKZ-UHFFFAOYSA-N

InChI: 1S/C21H25ClFN3O3/c1-2-28-20-10-19(24)18(22)9-17(20)21(27)25-11-16-13-26(7-8-29-16)12-14-3-5-15(23)6-4-14/h3-6,9-10,16H,2,7-8,11-13,24H2,1H3,(H,25,27)

详情

查看价格关闭

收藏夹比较

4-咪唑-1-苯乙酮

规格或纯度 :

≥96%

CAS号: 10041-06-2

分子式: C₁₁H₁₀N₂O 分子量: 186.21

IUPAC Name: 1-(4-imidazol-1-ylphenyl)ethanone

SMILES: CC(=O)C1=CC=C(C=C1)N2C=CN=C2

InChIKey: GAIQQJIMVVUTQN-UHFFFAOYSA-N

InChI: 1S/C11H10N2O/c1-9(14)10-2-4-11(5-3-10)13-7-6-12-8-13/h2-8H,1H3

详情

查看价格关闭

收藏夹比较

氯丙嗪

规格或纯度 :

Moligand™

≥95%

CAS号: 50-53-3

分子式: C₁₇H₁₉ClN₂S 分子量: 318.9

IUPAC Name: 3-(2-chlorophenothiazin-10-yl)-N,N-dimethylpropan-1-amine

SMILES: CN(C)CCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl

InChIKey: ZPEIMTDSQAKGNT-UHFFFAOYSA-N

InChI: 1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3

详情

查看价格关闭

收藏夹比较

维拉帕米

规格或纯度 :

Moligand™

≥98%

CAS号: 52-53-9 Compound CID : 2520

分子式: C₂₇H₃₈N₂O₄ 分子量: 454.6

IUPAC Name: 2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-propan-2-ylpentanenitrile

SMILES: CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C=C2)OC)OC

InChIKey: SGTNSNPWRIOYBX-UHFFFAOYSA-N

InChI: 1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3

详情

查看价格关闭

收藏夹比较

竹桃霉素三乙酸酯

规格或纯度 :

Moligand™

≥97%

CAS号: 2751-09-9 Compound CID : 202225

分子式: C₄₁H₆₇NO₁₅ 分子量: 814

IUPAC Name: [(3R,5S,6S,7R,8S,9R,12R,13S,14S,15R)-6-[(2S,3R,4S,6R)-3-acetyloxy-4-(dimethylamino)-6-methyloxan-2-yl]oxy-8-[(2R,4S,5S,6S)-5-acetyloxy-4-methoxy-6-methyloxan-2-yl]oxy-5,7,9,12,13,15-hexamethyl-10,16-dSee more

SMILES: CC1CC(C(C(O1)OC2C(CC3(CO3)C(=O)C(C(C(C(OC(=O)C(C(C2C)OC4CC(C(C(O4)C)OC(=O)C)OC)C)C)C)OC(=O)C)C)C)OC(=O)C)N(C)C

InChIKey: LQCLVBQBTUVCEQ-QTFUVMRISA-N

InChI: 1S/C41H67NO15/c1-19-17-41(18-49-41)38(46)23(5)34(53-27(9)43)21(3)25(7)52-39(47)24(6)35(56-32-16-31(48-14)36(26(8)51-32)54-28(10)44)22(4)33(19)57-40-37(55-29(11)45)30(42(12)13)15-20(2)50-40/h19-26,30-3See more

详情

查看价格关闭