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Product details

名称

PROTAC ERRα ligand 2

分子类型

未知

别名

PROTAC ERRα 配体 2

英文名称

PROTAC ERRα ligand 2

货号

P648563-5mg

包装规格

5mg

浓度

≥99%

储存温度

-20°C储存

运输条件

超低温冰袋运输

产品介绍

PROTAC ERRα ligand 2 is an estrogen-related receptor α ( ERRα ) inverse agonist with an IC 50 of 5.67 nM. PROTAC ERRα ligand 2 (IC 50 =5.67 nM) displays a ~11-fold improved potency than XCT790 (IC 50 =61.3 nM). Form:Solid

生化机理

PROTAC ERRα 配体 2 是一种雌激素相关受体α（ERRα）逆激动剂，其 IC 50 为 5.67 nM。PROTAC ERRα 配体 2（IC 50 =5.67 nM）的效力比 XCT790（IC 50 =61.3 nM）提高了约 11 倍。

CAS号

2306388-57-6

分子式

C20H13F6NO4

分子量

445.3 g/mol

PubChem编号

139291005

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)O)OCC2=C(C=C(C=C2)C(F)(F)F)C(F)(F)F

IIUPAC Name

(E)-3-[4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-3-methoxyphenyl]-2-cyanoprop-2-enoic acid

INCHI

1S/C20H13F6NO4/c1-30-17-7-11(6-13(9-27)18(28)29)2-5-16(17)31-10-12-3-4-14(19(21,22)23)8-15(12)20(24,25)26/h2-8H,10H2,1H3,(H,28,29)/b13-6+

InChi Key

JRWKJGIKIBTXMV-AWNIVKPZSA-N

Smiles

COC1=C(C=CC(=C1)C=C(C#N)C(=O)O)OCC2=C(C=C(C=C2)C(F)(F)F)C(F)(F)F

PubChem CID

139291005

溶解性

DMSO : 62.5 mg/mL (140.35 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

445.075 Da

单同位素质量Monoisotopic Mass

445.075 Da

拓扑极表面积Topological Polar Surface Area

79.600 Å²

重原子数Heavy Atom Count

形式电荷Formal Charge

复杂度Complexity

711

同位素原子数Isotope Atom Count

共价键合单元计数Covalently-Bonded Unit Count

XLogP3

Safety

「No Dangerous Attributes」

「No upstream and downstream information yet」

Technical Documents

「No technical documents」

Articles

「No related articles yet」

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