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Product details

名称

Endoxifen (E-isomer)

别名

因多昔芬(E 异构体)

英文别名

英文名称

Endoxifen (E-isomer)

货号

E651385-5mg

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

Endoxifen E-isomer (E-Endoxifen), an E-isomer of Endoxifen, is an impurity in Endoxifen Z-isomer agent substance. Endoxifen E-isomer exhibits antiestrogenic effects. In Vitro Endoxifen E-isomer (1-1000 nM; 12 h) inhibits PGR gene expression in E 2 -induced MCF-7 cells. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Form:Solid

生化机理

恩多昔芬 E-异构体（E-Endoxifen）是恩多昔芬的 E-异构体，是恩多昔芬 Z-异构体制剂物质中的一种杂质。恩多昔芬 E-异构体具有抗雌激素作用。

CAS号

114828-90-9

分子式

C25H27NO2

分子量

373.49 g/mol

EC号

808-709-4

PubChem编号

3035980

Isomeric SMILES

CC/C(=C(/C1=CC=C(C=C1)O)\C2=CC=C(C=C2)OCCNC)/C3=CC=CC=C3

IIUPAC Name

4-[(E)-1-[4-[2-(methylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol

INCHI

1S/C25H27NO2/c1-3-24(19-7-5-4-6-8-19)25(20-9-13-22(27)14-10-20)21-11-15-23(16-12-21)28-18-17-26-2/h4-16,26-27H,3,17-18H2,1-2H3/b25-24+

InChi Key

MHJBZVSGOZTKRH-OCOZRVBESA-N

Smiles

CCC(=C(C1=CC=C(C=C1)O)C2=CC=C(C=C2)OCCNC)C3=CC=CC=C3

关联CAS

110025-28-0,114828-90-9

MeSH Entry Terms

4-hydroxy-N-demethyltamoxifen;4-hydroxy-N-desmethyltamoxifen;4-hydroxy-N-desmethyltamoxifen, (Z)-isomer;endoxifen;Z-endoxifen

溶解性

DMSO : 50 mg/mL (133.87 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

373.204 Da

单同位素质量Monoisotopic Mass

373.204 Da

拓扑极表面积Topological Polar Surface Area

41.500 Å²

重原子数Heavy Atom Count

形式电荷Formal Charge

复杂度Complexity

467.000

同位素原子数Isotope Atom Count

共价键合单元计数Covalently-Bonded Unit Count

XLogP3

6.300

Reaxy-Rn

9655609

NSC Number

750182

Safety

「No Dangerous Attributes」

「No upstream and downstream information yet」

Technical Documents

「No technical documents」

Articles

「No related articles yet」

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