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Product details

名称

GW-870086

分子类型

小分子

英文别名

HY-103662 | AC-37137 | EX-A2829 | AKOS040741825 | SCHEMBL524179 | DB12322 | GW870086X | cyanomethyl (6S,8S,9R,10S,11S,13S,14S,16R,17R)-6,9-difluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-17-((2,2,3,3-tetramethylcyclopropane-1-carbonyl)oxy)-6,7,8,9,10,11,12,1

英文名称

GW-870086

货号

G647667-5mg

包装规格

5mg

级别

Moligand™

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

GW-870086 is a potent anti-inflammatory agent, acting as a glucocorticoid receptor agonist, with a pIC 50 of 10.1 in A549 cells expressing NF-κB . In Vitro GW-870086 a glucocorticoid receptor agonist, inhibits NFkB reporter gene with a pIC 50 of 10.1, but shows no effect on the MMTV reporter genes in A549 cells, and has little or no activity at the oestrogen receptor, progesterone receptor, progesterone receptor, mineralocorticoid receptor or androgen receptor. GW-870086 (1 pM-1 μM) dose-dependently inhibits the L-6 release induced by TNF-α in A549 epithelial carcinoma cells and by IL-1 in MG63 osteosarcoma cells (pIC 50 s, 9.6, 10.2). GW-870086 (GW870086X; 10-100 nM) significantly increases fibronectin secretion. However, GW-870086 has no effect on MMP2 secretion, and does not increase cellular myocilin. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Form:Solid IC50& Target:pIC50: 10.1 (glucocorticoid receptor, A549 NF-κB cells)

生化机理

GW-870086 是一种强效抗炎药物，可作为糖皮质激素受体激动剂，在表达 NF-κB 的 A549 细胞中的 pIC 50 为 10.1。

CAS号

827319-43-7

分子式

C31H39F2NO6

分子量

559.64 g/mol

PubChem编号

11376392

Isomeric SMILES

C[C@@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)OCC#N)OC(=O)C5C(C5(C)C)(C)C)C)O)F)C)F

IIUPAC Name

cyanomethyl (6S,8S,9R,10S,11S,13S,14S,16R,17R)-6,9-difluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-17-(2,2,3,3-tetramethylcyclopropanecarbonyl)oxy-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carboxylate

INCHI

1S/C31H39F2NO6/c1-16-12-18-19-14-21(32)20-13-17(35)8-9-28(20,6)30(19,33)22(36)15-29(18,7)31(16,25(38)39-11-10-34)40-24(37)23-26(2,3)27(23,4)5/h8-9,13,16,18-19,21-23,36H,11-12,14-15H2,1-7H3/t16-,18+,19+,21+,22+,28+,29+,30+,31+/m1/s1

InChi Key

WUBKGTSFJSEIEM-NSHBDUGJSA-N

Smiles

CC1CC2C3CC(C4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)OCC#N)OC(=O)C5C(C5(C)C)(C)C)C)O)F)C)F

PubChem CID

11376392

关联CAS

827319-43-7

MeSH Entry Terms

GW870086;GW870086X

溶解性

DMSO : 100 mg/mL (178.69 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

559.275 Da

单同位素质量Monoisotopic Mass

559.275 Da

拓扑极表面积Topological Polar Surface Area

114.000 Å²

重原子数Heavy Atom Count

形式电荷Formal Charge

复杂度Complexity

1280.000

同位素原子数Isotope Atom Count

共价键合单元计数Covalently-Bonded Unit Count

XLogP3

4.700

Safety

「No Dangerous Attributes」

「No upstream and downstream information yet」

Technical Documents

「No technical documents」

Articles

「No related articles yet」

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