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名称

CDK8-IN-1

分子类型

小分子

英文名称

CDK8-IN-1

货号

C649452-5mg

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

CDK8-IN-1 is a potent and selective CDK8 inhibitor with an IC 50 of 3 nM. In Vivo CDK8-IN-1 displays low systemic clearance, very good exposure and oral bioavailability. The t max is 0.25 h by PO. The mean values of C max are 9940 μg/L, 12740 μg/L by IV and PO respectively. The values of AUC are 9378, 25952 by IV and PO respectively . MCE has not independently confirmed the accuracy of these methods. They are for reference only. Form:Solid IC50& Target:CDK8 3 nM (IC 50 )

生化机理

CDK8-IN-1 是一种强效、选择性 CDK8 抑制剂，其 IC 50 为 3 nM。

CAS号

1629633-48-2

分子式

C11H8F3N3O

分子量

255.20 g/mol

PubChem编号

86274989

Isomeric SMILES

C1=CN=CC=C1C2=CNC(=C2C(F)(F)F)C(=O)N

IIUPAC Name

4-pyridin-4-yl-3-(trifluoromethyl)-1H-pyrrole-2-carboxamide

INCHI

1S/C11H8F3N3O/c12-11(13,14)8-7(5-17-9(8)10(15)18)6-1-3-16-4-2-6/h1-5,17H,(H2,15,18)

InChi Key

RKTPHHQXNCHBCF-UHFFFAOYSA-N

Smiles

C1=CN=CC=C1C2=CNC(=C2C(F)(F)F)C(=O)N

PubChem CID

86274989

溶解性

DMSO : 100 mg/mL (391.85 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

255.062 Da

单同位素质量Monoisotopic Mass

255.062 Da

拓扑极表面积Topological Polar Surface Area

71.800 Å²

重原子数Heavy Atom Count

形式电荷Formal Charge

复杂度Complexity

315

同位素原子数Isotope Atom Count

共价键合单元计数Covalently-Bonded Unit Count

XLogP3

1.4

Safety

「No Dangerous Attributes」

「No upstream and downstream information yet」

Technical Documents

「No technical documents」

Articles

「No related articles yet」

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