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名称

N-Desmethyl-Apalutamide

别名

N-去甲基阿帕鲁胺

英文别名

ARN000308 | ARN-000308 | 4-(7-(6-Cyano-5-(trifluoromethyl)pyridin-3-yl)-8-oxo-6-thioxo-5,7-diazaspiro[3.4]octan-5-yl)-2-fluorobenzamide | 4-[7-[6-cyano-5-(trifluoromethyl)pyridin-3-yl]-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]-2-fluorobenzamide

英文名称

N-Desmethyl-Apalutamide

货号

N649822-5mg

包装规格

5mg

浓度

≥97%

储存温度

-20°C储存

运输条件

超低温冰袋运输

产品介绍

N-Desmethyl Apalutamide is an active metabolite of Apalutamide. N-Desmethyl Apalutamide is a less potent antagonist of the androgen receptor and is responsible for one-third of the activity of Apalutamide. The formation of N-Desmethyl Apalutamide mediated predominantly by CYP2C8 and CYP3A4. N-Desmethyl Apalutamide is moderate to strong CYP3A4 and CYP2B6 inducer and has an excellent plasma-proteins bound concentration Form:Solid IC50& Target:CYP3A4 and CYP2B6, ,\nAndrogen receptor

生化机理

N-去甲基阿帕鲁胺是阿帕鲁胺的活性代谢物。N-去甲基阿帕鲁胺是一种效力较弱的雄激素受体拮抗剂，其活性仅为阿帕鲁胺的三分之一。N-去甲基阿帕鲁他胺的形成介导了阿帕鲁他胺的活性。

CAS号

1332391-11-3

分子式

C20H13F4N5O2S

分子量

463.41 g/mol

PubChem编号

86683490

Isomeric SMILES

C1CC2(C1)C(=O)N(C(=S)N2C3=CC(=C(C=C3)C(=O)N)F)C4=CC(=C(N=C4)C#N)C(F)(F)F

IIUPAC Name

4-[7-[6-cyano-5-(trifluoromethyl)pyridin-3-yl]-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]-2-fluorobenzamide

INCHI

1S/C20H13F4N5O2S/c21-14-7-10(2-3-12(14)16(26)30)29-18(32)28(17(31)19(29)4-1-5-19)11-6-13(20(22,23)24)15(8-25)27-9-11/h2-3,6-7,9H,1,4-5H2,(H2,26,30)

InChi Key

BAANHOAPFBHUDX-UHFFFAOYSA-N

Smiles

C1CC2(C1)C(=O)N(C(=S)N2C3=CC(=C(C=C3)C(=O)N)F)C4=CC(=C(N=C4)C#N)C(F)(F)F

PubChem CID

86683490

关联CAS

1332391-11-3

溶解性

DMSO : 100 mg/mL (215.79 mM; Need ultrasonic)

氢键供体数Hydrogen Bond Donor Count

氢键受体数Hydrogen Bond Acceptor Count

可旋转键计数Rotatable Bond Count

精确质量Exact Mass

463.073 Da

单同位素质量Monoisotopic Mass

463.073 Da

拓扑极表面积Topological Polar Surface Area

135.000 Å²

重原子数Heavy Atom Count

形式电荷Formal Charge

复杂度Complexity

870

同位素原子数Isotope Atom Count

共价键合单元计数Covalently-Bonded Unit Count

XLogP3

2.6

Safety

「No Dangerous Attributes」

「No upstream and downstream information yet」

Technical Documents

「No technical documents」

Articles

「No related articles yet」

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