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Product details

名称

(-)-Enitociclib

分子类型

小分子

别名

(-)-恩托西利

英文别名

(+)-BAY-1251152 | BR164331 | (-)-5-Fluoro-4-(4-fluoro-2-methoxyphenyl)-N-[4-[(S-methylsulfonimidoyl)methyl]-2-pyridinyl]-2-pyridinamine | DL-Enitociclib | NSC802450 | NSC-802450 | (-)-BAY-1251152;BAY-1251152; BAY 1251152; BAY1251152 | (??)-Enitociclib | (

英文名称

(-)-Enitociclib

货号

E648346-5mg

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

(-)-Enitociclib ((R)-Enitociclib) is an enanthiomer of BAY-1251152 with rotation (-). BAY-1251152 is a potent and highly selective PTEF/CDK9 inhibitor. Form:Solid IC50& Target:CDK9

生化机理

(-)-Enitociclib（(R)-Enitociclib）是 BAY-1251152 旋转 (-) 的增量异构体。BAY-1251152 是一种强效、高选择性的 PTEF/CDK9 抑制剂。

CAS号

1610358-59-2

分子式

C19H18F2N4O2S

分子量

404.43 g/mol

PubChem编号

74767009

Isomeric SMILES

COC1=C(C=CC(=C1)F)C2=CC(=NC=C2F)NC3=NC=CC(=C3)CS(=N)(=O)C

IIUPAC Name

5-fluoro-4-(4-fluoro-2-methoxyphenyl)-N-[4-[(methylsulfonimidoyl)methyl]pyridin-2-yl]pyridin-2-amine

INCHI

1S/C19H18F2N4O2S/c1-27-17-8-13(20)3-4-14(17)15-9-19(24-10-16(15)21)25-18-7-12(5-6-23-18)11-28(2,22)26/h3-10,22H,11H2,1-2H3,(H,23,24,25)

InChi Key

YZCUMZWULWOUMD-UHFFFAOYSA-N

Smiles

COC1=C(C=CC(=C1)F)C2=CC(=NC=C2F)NC3=NC=CC(=C3)CS(=N)(=O)C

关联CAS

1610358-59-2

溶解性

DMSO : 22 mg/mL (54.40 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

404.112 Da

单同位素质量Monoisotopic Mass

404.112 Da

拓扑极表面积Topological Polar Surface Area

96.300 Å²

重原子数Heavy Atom Count

形式电荷Formal Charge

复杂度Complexity

619.000

同位素原子数Isotope Atom Count

共价键合单元计数Covalently-Bonded Unit Count

XLogP3

4.200

Reaxy-Rn

26903743

Safety

「No Dangerous Attributes」

「No upstream and downstream information yet」

Technical Documents

「No technical documents」

Articles

「No related articles yet」

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