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Product details

名称

BAY-850

分子类型

未知

英文名称

BAY-850

货号

B650379-5mg

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

BAY-850 is a potent and isoform selective ATPase family AAA domain-containing protein 2 (ATAD2) inhibitor, with an IC 50 of 166 nM. In Vitro BAY-850 competes with the binding of a mono-acetylated Histone H4 N-terminal peptide to ATAD2 BD with an IC 50 of 166 nM measured in TR-FRET assay. BAY-850 displaces the tetra-acetylated peptide with an IC 50 of 157 nM and a K D of 115 nM respectively. The unprecedented isoform selectivity of BAY-850 suggests a different mode of action to those exhibited by canonical BD inhibitors. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Form:Solid IC50& Target:ATAD2

生化机理

BAY-850 是一种强效且具有同工酶选择性的 ATPase 家族 AAA 含域蛋白 2（ATAD2）抑制剂，其 IC 50 为 166 nM。

CAS号

2099142-76-2

分子式

C38H44ClN5O3

分子量

654.24 g/mol

PubChem编号

129196931

Isomeric SMILES

CC1=CC=C(C=C1)[C@@H](C)NCC2=CC=C(O2)C3=CC(=C(C=C3OC)Cl)C(=O)N[C@H](CC4=CC=C(C=C4)C#N)CNC5CCC(CC5)N

IIUPAC Name

N-[(2R)-1-[(4-aminocyclohexyl)amino]-3-(4-cyanophenyl)propan-2-yl]-2-chloro-4-methoxy-5-[5-[[[(1R)-1-(4-methylphenyl)ethyl]amino]methyl]furan-2-yl]benzamide

INCHI

1S/C38H44ClN5O3/c1-24-4-10-28(11-5-24)25(2)42-23-32-16-17-36(47-32)34-19-33(35(39)20-37(34)46-3)38(45)44-31(18-26-6-8-27(21-40)9-7-26)22-43-30-14-12-29(41)13-15-30/h4-11,16-17,19-20,25,29-31,42-43H,12-15,18,22-23,41H2,1-3H3,(H,44,45)/t25-,29?,30?,31-/m1/s1

InChi Key

BSISGUIVBKDTQO-JLXKDNNHSA-N

Smiles

CC1=CC=C(C=C1)C(C)NCC2=CC=C(O2)C3=CC(=C(C=C3OC)Cl)C(=O)NC(CC4=CC=C(C=C4)C#N)CNC5CCC(CC5)N

PubChem CID

129196931

溶解性

DMSO : 62.5 mg/mL (95.53 mM; Need ultrasonic) H2O : <0.1 mg/mL (ultrasonic;warming;heat to 60°C) (insoluble)

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

653.313 Da

单同位素质量Monoisotopic Mass

653.313 Da

拓扑极表面积Topological Polar Surface Area

125.000 Å²

重原子数Heavy Atom Count

形式电荷Formal Charge

复杂度Complexity

1000

同位素原子数Isotope Atom Count

共价键合单元计数Covalently-Bonded Unit Count

XLogP3

5.9

Safety

「No Dangerous Attributes」

「No upstream and downstream information yet」

Technical Documents

「No technical documents」

Articles

「No related articles yet」

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