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

乙酸阿比特龙酯

规格或纯度 :

≥99%

CAS号: 154229-18-2

分子式: C₂₆H₃₃NO₂ 分子量: 391.55

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-yl] acetate

SMILES: CC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CC=C4C5=CN=CC=C5)C)C

InChIKey: UVIQSJCZCSLXRZ-UBUQANBQSA-N

InChI: 1S/C26H33NO2/c1-17(28)29-20-10-12-25(2)19(15-20)6-7-21-23-9-8-22(18-5-4-14-27-16-18)26(23,3)13-11-24(21)25/h4-6,8,14,16,20-21,23-24H,7,9-13,15H2,1-3H3/t20-,21-,23-,24-,25-,26+/m0/s1

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阿比特龙

规格或纯度 :

Moligand™

≥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

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Orteronel,抑制剂

规格或纯度 :

≥99%

CAS号: 566939-85-3

分子式: C₁₈H₁₇N₃O₂ 分子量: 307.35

IUPAC Name: 6-[(7S)-7-hydroxy-5,6-dihydropyrrolo[1,2-c]imidazol-7-yl]-N-methylnaphthalene-2-carboxamide

SMILES: CNC(=O)C1=CC2=C(C=C1)C=C(C=C2)C3(CCN4C3=CN=C4)O

InChIKey: OZPFIJIOIVJZMN-SFHVURJKSA-N

InChI: 1S/C18H17N3O2/c1-19-17(22)14-3-2-13-9-15(5-4-12(13)8-14)18(23)6-7-21-11-20-10-16(18)21/h2-5,8-11,23H,6-7H2,1H3,(H,19,22)/t18-/m0/s1

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Galeterone,CYP17抑制剂

规格或纯度 :

Moligand™

≥98%

CAS号: 851983-85-2 Compound CID : 11188409

分子式: C₂₆H₃₂N₂O 分子量: 388.56

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

SMILES: CC12CCC(CC1=CCC3C2CCC4(C3CC=C4N5C=NC6=CC=CC=C65)C)O

InChIKey: PAFKTGFSEFKSQG-PAASFTFBSA-N

InChI: 1S/C26H32N2O/c1-25-13-11-18(29)15-17(25)7-8-19-20-9-10-24(26(20,2)14-12-21(19)25)28-16-27-22-5-3-4-6-23(22)28/h3-7,10,16,18-21,29H,8-9,11-15H2,1-2H3/t18-,19-,20-,21-,25-,26-/m0/s1

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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

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Abiraterone Acetate

规格或纯度 :

Moligand™

10mM in DMSO

CAS号: 154229-18-2

分子式: C₂₆H₃₃NO₂ 分子量: 391.55

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-yl] acetate

SMILES: CC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CC=C4C5=CN=CC=C5)C)C

InChIKey: UVIQSJCZCSLXRZ-UBUQANBQSA-N

InChI: 1S/C26H33NO2/c1-17(28)29-20-10-12-25(2)19(15-20)6-7-21-23-9-8-22(18-5-4-14-27-16-18)26(23,3)13-11-24(21)25/h4-6,8,14,16,20-21,23-24H,7,9-13,15H2,1-3H3/t20-,21-,23-,24-,25-,26+/m0/s1

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酮康唑

规格或纯度 :

Moligand™

≥99%(EP,titration)

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

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Azalanstat

规格或纯度 :

Moligand™

≥98%

CAS号: 143393-27-5 Compound CID : 60876

分子式: C₂₂H₂₄ClN₃O₂S 分子量: 429.96

IUPAC Name: 4-[[(2S,4S)-2-[2-(4-chlorophenyl)ethyl]-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methylsulfanyl]aniline

SMILES: Nc1ccc(cc1)SC[C@@H]1CO[C@](O1)(CCc1ccc(cc1)Cl)Cn1ccnc1

InChIKey: VYNIUBZKEWJOJP-UNMCSNQZSA-N

InChI: 1S/C22H24ClN3O2S/c23-18-3-1-17(2-4-18)9-10-22(15-26-12-11-25-16-26)27-13-20(28-22)14-29-21-7-5-19(24)6-8-21/h1-8,11-12,16,20H,9-10,13-15,24H2/t20-,22-/m0/s1

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D4-abiraterone

规格或纯度 :

≥99%

CAS号: 154229-21-7 Compound CID : 196941

分子式: C₂₄H₂₉NO 分子量: 347.49

IUPAC Name: (8R,9S,10R,13S,14S)-10,13-dimethyl-17-pyridin-3-yl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-3-one

SMILES: CC12CCC(=O)C=C1CCC3C2CCC4(C3CC=C4C5=CN=CC=C5)C

InChIKey: GYJZZAJJENTSTP-NHFPKVKZSA-N

InChI: 1S/C24H29NO/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/h3-4,7,13-15,19,21-22H,5-6,8-12H2,1-2H3/t19-,21-,22-,23-,24+/m0/s1

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(+)-Ketoconazole

规格或纯度 :

≥99%

CAS号: 142128-59-4 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

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