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Product details

名称

GSK726701A

分子类型

小分子

英文名称

GSK726701A

货号

G651378-5mg

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

GSK726701A is a novel prostaglandin E2 receptor 4 (EP4) partial agonist with a pEC 50 of 7.4. In Vitro GSK726701A has high selectivity (>100-fold) against a set of other prostaglandin receptors (EP1-3 , DP1 , FP, IP, TP) and no significant activity against a wider panel of targets. It demonstrates EP4 agonist activity with similar potency and intrinsic activity (pEC 50 =8.2) in a human whole blood (HWB) assay on the inhibition of LPS-mediated TNFα induction. MCE has not independently confirmed the accuracy of these methods. They are for reference only. In Vivo GSK726701A has good pharmacokinetic file in rat, dog and monkey. GSK726701A has robust activity in a range of animal models of inflammatory and neuropathic pain GSK726701A demonstrates a time-dependant, full reversal of CCI-induced mechanical allodynia at 3mg/kg, equivalent to the clinical gold standard gabapentin (30mg/kg). GSK726701A has an ED 50 of 0.2mg/kg in the FCA acute rat model of inflammatory pain . MCE has not independently confirmed the accuracy of these methods. They are for reference only. Form:Solid IC50& Target:pEC50: 7.4

生化机理

GSK726701A 是一种新型前列腺素 E2 受体 4 (EP4) 部分激动剂，pEC 50 为 7.4。

CAS号

945721-87-9

分子式

C24H22FNO5

分子量

423.43 g/mol

PubChem编号

16678098

Isomeric SMILES

CCOC1=C2CN(C(=O)C2=C(C3=CC=CC=C31)OCC)C4=CC(=C(C=C4)CC(=O)O)F

IIUPAC Name

2-[4-(4,9-diethoxy-3-oxo-1H-benzo[f]isoindol-2-yl)-2-fluorophenyl]acetic acid

INCHI

1S/C24H22FNO5/c1-3-30-22-16-7-5-6-8-17(16)23(31-4-2)21-18(22)13-26(24(21)29)15-10-9-14(11-20(27)28)19(25)12-15/h5-10,12H,3-4,11,13H2,1-2H3,(H,27,28)

InChi Key

YJEFCZJZEASKIO-UHFFFAOYSA-N

Smiles

CCOC1=C2CN(C(=O)C2=C(C3=CC=CC=C31)OCC)C4=CC(=C(C=C4)CC(=O)O)F

PubChem CID

16678098

MeSH Entry Terms

(4-(4,9-bis(ethyloxy)-1-oxo-1,3-dihydro-2H-benzo(f)isoindol-2-yl)-2-fluorophenyl)acetic acid;GSK726701A

溶解性

DMSO : 25 mg/mL (59.04 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

423.148 Da

单同位素质量Monoisotopic Mass

423.148 Da

拓扑极表面积Topological Polar Surface Area

76.100 Å²

重原子数Heavy Atom Count

形式电荷Formal Charge

复杂度Complexity

660

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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