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名称

TAK-615

分子类型

小分子

英文名称

TAK-615

货号

T650935-5mg

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

TAK-615 is a negative allosteric modulator (NAM) of the LPA1 receptor for the research of pulmonary fibrosis. TAK-615 binds the LPA1 receptor with high affinity ( K d high affinity of 1.7 nM and K d low affinity of 14.5 nM) In Vitro TAK-615 specifically binds to membranes expressing the human LPA1 receptor with estimated Kd high affinity (KdHi) of 1.7±0.5 nM and K d low affinity (KdLo) of 14.5±12.1 nM. TAK-615 is only able to partially inhibit the LPA response (~ 40% at 10 µM with an IC 50 of 23±13 nM in β-arrestin assay; 60% at 10 µM, IC 50 of 91±30 nM in calcium mobilisation assay). MCE has not independently confirmed the accuracy of these methods. They are for reference only. Form:Solid IC50& Target:LPA1 Receptor 1.7-14.5 nM (Kd)

生化机理

TAK-615 是一种用于肺纤维化研究的 LPA1 受体负异位调节剂（NAM）。TAK-615 与 LPA1 受体的结合亲和力很高（K d 高亲和力为 1.7 nM，K d 低亲和力为 14.5 nM）。

CAS号

1664335-55-0

分子式

C25H22FNO4

分子量

419.44 g/mol

PubChem编号

90659729

Isomeric SMILES

C1CC1CN(CC2=CC=C(C=C2)C(=O)O)C(=O)C3=CC=C(C=C3)OC4=CC=CC=C4F

IIUPAC Name

4-[[cyclopropylmethyl-[4-(2-fluorophenoxy)benzoyl]amino]methyl]benzoic acid

INCHI

1S/C25H22FNO4/c26-22-3-1-2-4-23(22)31-21-13-11-19(12-14-21)24(28)27(15-17-5-6-17)16-18-7-9-20(10-8-18)25(29)30/h1-4,7-14,17H,5-6,15-16H2,(H,29,30)

InChi Key

LEZVXIZCJXKBJY-UHFFFAOYSA-N

Smiles

C1CC1CN(CC2=CC=C(C=C2)C(=O)O)C(=O)C3=CC=C(C=C3)OC4=CC=CC=C4F

PubChem CID

90659729

MeSH Entry Terms

4-(((cyclopropylmethyl)(4-(2-fluorophenoxy)benzoyl)amino)methyl)benzoic acid;TAK-615

溶解性

DMSO : 125 mg/mL (298.02 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

419.153 Da

单同位素质量Monoisotopic Mass

419.153 Da

拓扑极表面积Topological Polar Surface Area

66.800 Å²

重原子数Heavy Atom Count

形式电荷Formal Charge

复杂度Complexity

609

同位素原子数Isotope Atom Count

共价键合单元计数Covalently-Bonded Unit Count

XLogP3

4.8

Safety

「No Dangerous Attributes」

「No upstream and downstream information yet」

Technical Documents

「No technical documents」

Articles

「No related articles yet」

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