Name: Vercirnon sodium
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214324150
Cas No:886214-18-2
常用名:Vercirnon sodium
别名:维塞诺钠盐, Traficet-ENsodium, GSK-1605786 sodium, CCX282-Bsodium
别名:维塞诺钠盐, Traficet-ENsodium, GSK-1605786 sodium, CCX282-Bsodium
IUPAC:4-tert-butyl-N-[4-chloro-2-(1-oxo-1lambda5-pyridine-4-carbonyl)phenyl]benzene-1-sulfonamide sodium
IUPAC:4-tert-butyl-N-[4-chloro-2-(1-oxo-1lambda5-pyridine-4-carbonyl)phenyl]benzene-1-sulfonamide sodium
InChI key:QFAUJPTYAGADMS-UHFFFAOYSA-N

分子式:C22H21ClN2NaO4S
分子量:467.92
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[Na].CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)cc1C(=O)c1ccn(=O)cc1
SMILES:[Na].CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)cc1C(=O)c1ccn(=O)cc1

Vercirnon (GSK1605786A) sodium is an orally bioavailable, selective, and potent antagonist of CCR9 . Vercirnon sodium inhibits CCR9-mediated Ca 2+ mobilization and chemotaxis on Molt-4 cells with IC 50 values of 5.4 and 3.4 nM, respectively. Vercirnon sodium is selective for CCR9 over CCR1-12 and CX3CR1-7 (IC 50 s>10 μM for all). Vercirnon sodium is an equipotent inhibitor of CCL25-directed chemotaxis of both splice forms of CCR9 (CCR9A and CCR9B) with IC 50 values of 2.8 and 2.6 nM, respectively.

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