Name: TRPA1 Antagonist 1
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT214315155
Cas No:1984825-08-2
常用名:TRPA1 Antagonist 1
IUPAC:({1-[(2S,4R,5S)-4-fluoro-1-(4-fluorobenzenesulfonyl)-5-methylpyrrolidin-2-yl]-N-({5-fluoro-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyridin-4-yl}methyl)formamido}methoxy)phosphonic acid disodium
IUPAC:({1-[(2S,4R,5S)-4-fluoro-1-(4-fluorobenzenesulfonyl)-5-methylpyrrolidin-2-yl]-N-({5-fluoro-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyridin-4-yl}methyl)formamido}methoxy)phosphonic acid disodium
InChI key:NYXRQEACCSRRHX-IFUMFIRSSA-N

分子式:C24H22F6N5Na2O7PS
分子量:715.47
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[Na].[Na].C[C@H]1[C@H](F)C[C@H](N1S(=O)(=O)c1ccc(F)cc1)C(=O)N(COP(O)(O)=O)Cc1cc(ncc1F)-c1cnc(nc1)C(F)(F)FjcExt:v:0:0,1:0
SMILES:[Na].[Na].C[C@H]1[C@H](F)C[C@H](N1S(=O)(=O)c1ccc(F)cc1)C(=O)N(COP(O)(O)=O)Cc1cc(ncc1F)-c1cnc(nc1)C(F)(F)FjcExt:v:0:0,1:0

TRPA1 Antagonist 1 is an antagonist of TRPA1(IC50: 8 nM) and is a methylene phosphate prodrug which converts to its active parent drug.

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