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Product details

名称

TAK1/MAP4K2 inhibitor 1

别名

TAK1/MAP4K2 抑制剂 1

英文别名

AKOS016012030 | n-(4-((4-ethylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)-4-methyl-3-((6-methyl-7h-pyrrolo[2,3-d]pyrimidin-4-yl)oxy)benzamide | F84885 | BenzaMide, N-[4-[(4-ethyl-1-piperazinyl)Methyl]-3-(trifluoroMethyl)phenyl]-4-Methyl-3-[(6-Methyl

英文名称

TAK1/MAP4K2 inhibitor 1

货号

T648184-5mg

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

TAK1/MAP4K2 inhibitor 1 is a potent dual TGFβ-activated kinase 1 ( TAK1 ) and mitogen-activated protein kinase kinase kinase kinase 2 ( MAP4K2 ) inhibitor, with IC 50 s of 41.1 nM and 18.2 nM, respectively. In Vivo TAK1/MAP4K2 inhibitor 1 has moderate terminal elimination half-life (t 1/2 =2.94 h for mice (1 mg/kg, iv)) . MCE has not independently confirmed the accuracy of these methods. They are for reference only. Form:Solid IC50& Target:TAK1 41.1 nM (IC 50 ) MAP4K2 18.2 nM (IC 50 )

生化机理

TAK1/MAP4K2 抑制剂 1 是一种强效的 TGFβ 激活激酶 1（TAK1）和丝裂原活化蛋白激酶激酶 2（MAP4K2）双重抑制剂，其 IC 50 s 分别为 41.1 nM 和 18.2 nM。

CAS号

1315330-11-0

分子式

C29H31F3N6O2

分子量

552.59 g/mol

PubChem编号

71254032

Isomeric SMILES

CCN1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)C)OC4=NC=NC5=C4C=C(N5)C)C(F)(F)F

IIUPAC Name

N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-[(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]benzamide

INCHI

1S/C29H31F3N6O2/c1-4-37-9-11-38(12-10-37)16-21-7-8-22(15-24(21)29(30,31)32)36-27(39)20-6-5-18(2)25(14-20)40-28-23-13-19(3)35-26(23)33-17-34-28/h5-8,13-15,17H,4,9-12,16H2,1-3H3,(H,36,39)(H,33,34,35)

InChi Key

RWNAOXLCVXJMGM-UHFFFAOYSA-N

Smiles

CCN1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)C)OC4=NC=NC5=C4C=C(N5)C)C(F)(F)F

PubChem CID

71254032

关联CAS

1315330-11-0

溶解性

DMSO : 50 mg/mL (90.48 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

552.246 Da

单同位素质量Monoisotopic Mass

552.246 Da

拓扑极表面积Topological Polar Surface Area

86.400 Å²

重原子数Heavy Atom Count

形式电荷Formal Charge

复杂度Complexity

841

同位素原子数Isotope Atom Count

共价键合单元计数Covalently-Bonded Unit Count

XLogP3

Safety

「No Dangerous Attributes」

「No upstream and downstream information yet」

Technical Documents

「No technical documents」

Articles

「No related articles yet」

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