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

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芹菜素

规格或纯度 :

分析标准品

Moligand™

≥98%

CAS号 : 520-36-5 Compound CID : 5280443

分子式: C₁₅H₁₀O₅ 分子量: 270.24

IUPAC Name: 5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one

SMILES: C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O

InChIKey: KZNIFHPLKGYRTM-UHFFFAOYSA-N

InChI: InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H

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芹菜素

规格或纯度 :

Moligand™

≥98%(HPLC)

CAS号 : 520-36-5 Compound CID : 5280443

分子式: C₁₅H₁₀O₅ 分子量: 270.24

IUPAC Name: 5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one

SMILES: C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O

InChIKey: KZNIFHPLKGYRTM-UHFFFAOYSA-N

InChI: InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H

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阿那曲唑

规格或纯度 :

Moligand™

≥99%

CAS号 : 120511-73-1 Compound CID : 2187

分子式: C₁₇H₁₉N₅ 分子量: 293.37

IUPAC Name: 2-[3-(2-cyanopropan-2-yl)-5-(1,2,4-triazol-1-ylmethyl)phenyl]-2-methylpropanenitrile

SMILES: CC(C)(C#N)C1=CC(=CC(=C1)CN2C=NC=N2)C(C)(C)C#N

InChIKey: YBBLVLTVTVSKRW-UHFFFAOYSA-N

InChI: InChI=1S/C17H19N5/c1-16(2,9-18)14-5-13(8-22-12-20-11-21-22)6-15(7-14)17(3,4)10-19/h5-7,11-12H,8H2,1-4H3

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盐酸法倔唑

规格或纯度 :

≥98%(HPLC)

CAS号 : 102676-31-3 Compound CID : 59694

分子式: C₁₄H₁₃N₃·HCl 分子量: 259.73

IUPAC Name: 4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)benzonitrile;hydrochloride

SMILES: C1CC(N2C=NC=C2C1)C3=CC=C(C=C3)C#N.Cl

InChIKey: UKCVAQGKEOJTSR-UHFFFAOYSA-N

InChI: InChI=1S/C14H13N3.ClH/c15-8-11-4-6-12(7-5-11)14-3-1-2-13-9-16-10-17(13)14;/h4-7,9-10,14H,1-3H2;1H

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酮康唑

规格或纯度 :

Moligand™

≥98%

CAS号 : 65277-42-1 Compound CID : 456201

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: 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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来曲唑

规格或纯度 :

Moligand™

≥98%

CAS号 : 112809-51-5 Compound CID : 3902

分子式: C₁₇H₁₁N₅ 分子量: 285.303

IUPAC Name: 4-[(4-cyanophenyl)-(1,2,4-triazol-1-yl)methyl]benzonitrile

SMILES: C1=CC(=CC=C1C#N)C(C2=CC=C(C=C2)C#N)N3C=NC=N3

InChIKey: HPJKCIUCZWXJDR-UHFFFAOYSA-N

InChI: InChI=1S/C17H11N5/c18-9-13-1-5-15(6-2-13)17(22-12-20-11-21-22)16-7-3-14(10-19)4-8-16/h1-8,11-12,17H

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雄甾-1,4,6-三烯-3,17-二酮

CAS号 : 633-35-2 Compound CID : 104880

分子式: C₁₉H₂₂O₂ 分子量: 282.38

IUPAC Name: (8R,9S,10R,13S,14S)-10,13-dimethyl-9,11,12,14,15,16-hexahydro-8H-cyclopenta[a]phenanthrene-3,17-dione

SMILES: CC12CCC3C(C1CCC2=O)C=CC4=CC(=O)C=CC34C

InChIKey: DKVSUQWCZQBWCP-QAGGRKNESA-N

InChI: InChI=1S/C19H22O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h3-4,7,9,11,14-16H,5-6,8,10H2,1-2H3/t14-,15-,16-,18-,19-/m0/s1

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法曲唑（CGS16949A）

规格或纯度 :

Moligand™

≥98%

CAS号 : 102676-47-1 Compound CID : 59693

分子式: C₁₄H₁₃N₃ 分子量: 223.27

IUPAC Name: 4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)benzonitrile

SMILES: C1CC(N2C=NC=C2C1)C3=CC=C(C=C3)C#N

InChIKey: CLPFFLWZZBQMAO-UHFFFAOYSA-N

InChI: InChI=1S/C14H13N3/c15-8-11-4-6-12(7-5-11)14-3-1-2-13-9-16-10-17(13)14/h4-7,9-10,14H,1-3H2

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氨鲁米特

规格或纯度 :

Moligand™

≥98%

CAS号 : 125-84-8 Compound CID : 2145

分子式: C₁₃H₁₆N₂O₂ 分子量: 232.278

IUPAC Name: 3-(4-aminophenyl)-3-ethylpiperidine-2,6-dione

SMILES: CCC1(CCC(=O)NC1=O)C2=CC=C(C=C2)N

InChIKey: ROBVIMPUHSLWNV-UHFFFAOYSA-N

InChI: InChI=1S/C13H16N2O2/c1-2-13(8-7-11(16)15-12(13)17)9-3-5-10(14)6-4-9/h3-6H,2,7-8,14H2,1H3,(H,15,16,17)

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Exemestane

规格或纯度 :

Moligand™

≥99%

CAS号 : 107868-30-4 Compound CID : 60198

分子式: C₂₀H₂₄O₂ 分子量: 296.403

IUPAC Name: (8R,9S,10R,13S,14S)-10,13-dimethyl-6-methylidene-7,8,9,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,17-dione

SMILES: CC12CCC3C(C1CCC2=O)CC(=C)C4=CC(=O)C=CC34C

InChIKey: BFYIZQONLCFLEV-DAELLWKTSA-N

InChI: InChI=1S/C20H24O2/c1-12-10-14-15-4-5-18(22)20(15,3)9-7-16(14)19(2)8-6-13(21)11-17(12)19/h6,8,11,14-16H,1,4-5,7,9-10H2,2-3H3/t14-,15-,16-,19+,20-/m0/s1

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