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名称

CDK-IN-2

英文别名

英文名称

CDK-IN-2

货号

C650367-5mg

包装规格

5mg

浓度

≥98%

储存温度

-20°C储存

运输条件

超低温冰袋运输

产品介绍

CDK-IN-2 is a potent and specific CDK9 inhibitor. Form:Solid IC50& Target:CDK9/cyclinT1 8 nM (IC 50 )

生化机理

CDK-IN-2 是一种有效的特异性 CDK9 抑制剂，IC50 值小于 8 nM，摘自参考文献 1，示例 4：<8 nM \nTarget：CDK9 体外：（n体内：

CAS号

1269815-17-9

分子式

C18H19ClFN3O2

分子量

363.81 g/mol

PubChem编号

50991505

Isomeric SMILES

COC1=C(C=C(C=C1)F)C2=CC(=NC=C2Cl)NC(=O)[C@@H]3CCCNC3

IIUPAC Name

(3R)-N-[5-chloro-4-(5-fluoro-2-methoxyphenyl)pyridin-2-yl]piperidine-3-carboxamide

INCHI

1S/C18H19ClFN3O2/c1-25-16-5-4-12(20)7-14(16)13-8-17(22-10-15(13)19)23-18(24)11-3-2-6-21-9-11/h4-5,7-8,10-11,21H,2-3,6,9H2,1H3,(H,22,23,24)/t11-/m1/s1

InChi Key

AHMKHNVZGOQLRQ-LLVKDONJSA-N

Smiles

COC1=C(C=C(C=C1)F)C2=CC(=NC=C2Cl)NC(=O)C3CCCNC3

PubChem CID

50991505

关联CAS

1269815-17-9

溶解性

DMSO : ≥ 100 mg/mL (274.87 mM)

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

363.115 Da

单同位素质量Monoisotopic Mass

363.115 Da

拓扑极表面积Topological Polar Surface Area

63.300 Å²

重原子数Heavy Atom Count

形式电荷Formal Charge

复杂度Complexity

456.000

同位素原子数Isotope Atom Count

共价键合单元计数Covalently-Bonded Unit Count

XLogP3

2.700

Safety

「No Dangerous Attributes」

「No upstream and downstream information yet」

Technical Documents

「No technical documents」

Articles

「No related articles yet」

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