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Product details

名称

GSK8814

分子类型

小分子

英文名称

GSK8814

货号

G647825-5mg

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

GSK8814 is a potent, selective, and ATAD2/2B bromodomain chemical probe and inhibitor, with a binding constant pK d =8.1 and a pK i =8.9 in BROMOscan. GSK8814 binds to ATAD2 and BRD4 BD1 with pIC 50 s of 7.3 and 4.6, respectively. GSK8814 shows 500-fold selectivity for ATAD2 over BRD4 BD1 Form:Solid IC50& Target:ATAD2 8.9 (pKi) ATAD2 8 nM (Ki) BRD4 BD1 4.6 (pIC 50 )

生化机理

GSK8814 是一种强效、选择性的 ATAD2/2B 溴链化学探针和抑制剂，其结合常数 pK d =8.1，在 BROMOscan 中 pK i =8.9。GSK8814 与 ATAD2 和 BRD4 BD1 的结合 pIC 50 s 分别为 7.3 和 4.6。GSK8814 与 ATAD2 和 BRD4 BD1 的结合 pIC 50 分别为 7.3 和 4.6。

CAS号

1997369-78-4

分子式

C28H35F2N5O3

分子量

527.61 g/mol

PubChem编号

121499171

Isomeric SMILES

CC1=CC(=CN=C1)C2=CN=C(C3=C2C=C(C(=O)N3)C)N[C@@H]4[C@H](CNC[C@H]4OCC5CCC(CC5)(F)F)OC

IIUPAC Name

8-[[(3R,4R,5S)-3-[(4,4-difluorocyclohexyl)methoxy]-5-methoxypiperidin-4-yl]amino]-3-methyl-5-(5-methylpyridin-3-yl)-1H-1,7-naphthyridin-2-one

INCHI

1S/C28H35F2N5O3/c1-16-8-19(11-31-10-16)21-12-33-26(24-20(21)9-17(2)27(36)35-24)34-25-22(37-3)13-32-14-23(25)38-15-18-4-6-28(29,30)7-5-18/h8-12,18,22-23,25,32H,4-7,13-15H2,1-3H3,(H,33,34)(H,35,36)/t22-,23+,25+/m0/s1

InChi Key

YDPMMWAOCCOULO-JBRSBNLGSA-N

Smiles

CC1=CC(=CN=C1)C2=CN=C(C3=C2C=C(C(=O)N3)C)NC4C(CNCC4OCC5CCC(CC5)(F)F)OC

PubChem CID

121499171

溶解性

DMSO : 100 mg/mL (189.53 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

527.271 Da

单同位素质量Monoisotopic Mass

527.271 Da

拓扑极表面积Topological Polar Surface Area

97.400 Å²

重原子数Heavy Atom Count

形式电荷Formal Charge

复杂度Complexity

850.000

同位素原子数Isotope Atom Count

共价键合单元计数Covalently-Bonded Unit Count

XLogP3

3.300

Safety

「No Dangerous Attributes」

「No upstream and downstream information yet」

Technical Documents

「No technical documents」

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「No related articles yet」

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