页面 3 | Drug Metabolite - 代谢酶/蛋白酶 - 按“信号通路”分类

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二十碳五烯酸甲酯

规格或纯度 :

≥97%(GC)

CAS号 : 2734-47-6 Compound CID : 6421261

分子式: CH₃(CH₂CH=CH)₅(CH₂)₃CO₂CH₃ 分子量: 316.48

IUPAC Name: methyl (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate

SMILES: CCC=CCC=CCC=CCC=CCC=CCCCC(=O)OC

InChIKey: QWDCYFDDFPWISL-JEBPEJKESA-N

InChI: InChI=1S/C21H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h4-5,7-8,10-11,13-14,16-17H,3,6,9,12,15,18-20H2,1-2H3/b5-4-,8-7-,11-10-,14-13-,17-16-

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(±)-降烟碱

规格或纯度 :

≥98%

CAS号 : 5746-86-1

分子式: C₉H₁₂N₂ 分子量: 148.2

IUPAC Name: 3-pyrrolidin-2-ylpyridine

SMILES: C1CC(NC1)C2=CN=CC=C2

InChIKey: MYKUKUCHPMASKF-UHFFFAOYSA-N

InChI: InChI=1S/C9H12N2/c1-3-8(7-10-5-1)9-4-2-6-11-9/h1,3,5,7,9,11H,2,4,6H2

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烟碱-N-氧化物

规格或纯度 :

≥98%

CAS号 : 1986-81-8 Compound CID : 72661

分子式: C₆H₆N₂O₂ 分子量: 138.12

IUPAC Name: 1-oxidopyridin-1-ium-3-carboxamide

SMILES: C1=CC(=C[N+](=C1)[O-])C(=O)N

InChIKey: USSFUVKEHXDAPM-UHFFFAOYSA-N

InChI: InChI=1S/C6H6N2O2/c7-6(9)5-2-1-3-8(10)4-5/h1-4H,(H2,7,9)

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醋磺胺甲噁唑

规格或纯度 :

分析标准品

CAS号 : 21312-10-7 Compound CID : 65280

分子式: C₁₂H₁₃N₃O₄S 分子量: 295.314

IUPAC Name: N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide

SMILES: CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C

InChIKey: GXPIUNZCALHVBA-UHFFFAOYSA-N

InChI: InChI=1S/C12H13N3O4S/c1-8-7-12(14-19-8)15-20(17,18)11-5-3-10(4-6-11)13-9(2)16/h3-7H,1-2H3,(H,13,16)(H,14,15)

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N-[11-(二氟亚甲基二硼化硼)十一烷酰基] -D-赤型-鞘氨醇

规格或纯度 :

≥99%

CAS号 : 1246355-58-7 Compound CID : 125305975

分子式: C₄₂H₇₀N₃O₃F₂ 分子量: 713.831

IUPAC Name: 11-(2,2-difluoro-4,6,10,12-tetramethyl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-8-yl)-N-[(E,2S,3R)-1,3-dihydroxyoctadec-4-en-2-yl]undecanamide

SMILES: [B-]1(N2C(=CC(=C2C(=C3[N+]1=C(C=C3C)C)CCCCCCCCCCC(=O)NC(CO)C(C=CCCCCCCCCCCCCC)O)C)C)(F)F

InChIKey: NGWZKZIJSBUOIZ-BOOOSZIVSA-N

InChI: InChI=1S/C42H70BF2N3O3/c1-6-7-8-9-10-11-12-13-14-15-19-22-25-28-39(50)38(32-49)46-40(51)29-26-23-20-17-16-18-21-24-27-37-41-33(2)30-35(4)47(41)43(44,45)48-36(5)31-34(3)42(37)48/h25,28,30-31,38-39,49-50H,6-24,26-27,29,32H2,1-5H3,(H,46,51)/b28-25+/t38-,39+/m0/s1

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(±)-去甲维拉帕米盐酸盐

规格或纯度 :

≥99%

CAS号 : 67812-42-4

分子式: C₁₅H₁₅Si 分子量: 477.04

IUPAC Name: 2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethylamino]-2-propan-2-ylpentanenitrile;hydrochloride

SMILES: CC(C)C(CCCNCCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C=C2)OC)OC.Cl

InChIKey: OEAFTRIDBHSJDC-UHFFFAOYSA-N

InChI: InChI=1S/C26H36N2O4.ClH/c1-19(2)26(18-27,21-9-11-23(30-4)25(17-21)32-6)13-7-14-28-15-12-20-8-10-22(29-3)24(16-20)31-5;/h8-11,16-17,19,28H,7,12-15H2,1-6H3;1H

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N-乙酰苯醌亚胺

规格或纯度 :

Moligand™

≥90%

CAS号 : 50700-49-7 Compound CID : 39763

分子式: C₈H₇NO₂ 分子量: 149.147

IUPAC Name: N-(4-oxocyclohexa-2,5-dien-1-ylidene)acetamide

SMILES: CC(=O)N=C1C=CC(=O)C=C1

InChIKey: URNSECGXFRDEDC-UHFFFAOYSA-N

InChI: InChI=1S/C8H7NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5H,1H3

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N-去甲基氯氮平

规格或纯度 :

Moligand™

≥98%

CAS号 : 6104-71-8 Compound CID : 135409468

分子式: C₁₇H₁₇ClN₄ 分子量: 312.8

IUPAC Name: 3-chloro-6-piperazin-1-yl-11H-benzo[b][1,4]benzodiazepine

SMILES: C1CN(CCN1)C2=NC3=C(C=CC(=C3)Cl)NC4=CC=CC=C42

InChIKey: JNNOSTQEZICQQP-UHFFFAOYSA-N

InChI: InChI=1S/C17H17ClN4/c18-12-5-6-15-16(11-12)21-17(22-9-7-19-8-10-22)13-3-1-2-4-14(13)20-15/h1-6,11,19-20H,7-10H2

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盐酸去甲替林

规格或纯度 :

≥98%(HPLC)

CAS号 : 894-71-3 Compound CID : 441358

分子式: C₁₉H₂₁N · HCl 分子量: 299.84

IUPAC Name: N-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine;hydrochloride

SMILES: CNCCC=C1C2=CC=CC=C2CCC3=CC=CC=C31.Cl

InChIKey: SHAYBENGXDALFF-UHFFFAOYSA-N

InChI: InChI=1S/C19H21N.ClH/c1-20-14-6-11-19-17-9-4-2-7-15(17)12-13-16-8-3-5-10-18(16)19;/h2-5,7-11,20H,6,12-14H2,1H3;1H

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醋磺胺甲噁唑

规格或纯度 :

≥98%

CAS号 : 21312-10-7 Compound CID : 65280

分子式: C₁₂H₁₃N₃O₄S 分子量: 295.314

IUPAC Name: N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide

SMILES: CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C

InChIKey: GXPIUNZCALHVBA-UHFFFAOYSA-N

InChI: InChI=1S/C12H13N3O4S/c1-8-7-12(14-19-8)15-20(17,18)11-5-3-10(4-6-11)13-9(2)16/h3-7H,1-2H3,(H,13,16)(H,14,15)

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去甲厄洛替尼盐酸盐

规格或纯度 :

≥98%

CAS号 : 183320-51-6 Compound CID : 18924996

分子式: C₂₁H₂₁N₃O₄.HCl 分子量: 415.87

IUPAC Name: 2-[4-(3-ethynylanilino)-7-(2-methoxyethoxy)quinazolin-6-yl]oxyethanol;hydrochloride

SMILES: COCCOC1=C(C=C2C(=C1)N=CN=C2NC3=CC=CC(=C3)C#C)OCCO.Cl

InChIKey: BUOXOWNQZVIETJ-UHFFFAOYSA-N

InChI: InChI=1S/C21H21N3O4.ClH/c1-3-15-5-4-6-16(11-15)24-21-17-12-19(27-8-7-25)20(28-10-9-26-2)13-18(17)22-14-23-21;/h1,4-6,11-14,25H,7-10H2,2H3,(H,22,23,24);1H

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1-油酰基-2-羟基-sn-甘油-3-磷酸乙醇胺

规格或纯度 :

≥99%

CAS号 : 89576-29-4

分子式: C₂₃H₄₆NO₇P 分子量: 479.588

IUPAC Name: [(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] (Z)-octadec-9-enoate

SMILES: CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)O

InChIKey: PYVRVRFVLRNJLY-MZMPXXGTSA-N

InChI: InChI=1S/C23H46NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(26)29-20-22(25)21-31-32(27,28)30-19-18-24/h9-10,22,25H,2-8,11-21,24H2,1H3,(H,27,28)/b10-9-/t22-/m1/s1

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