Name: (R)-Elexacaftor
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT217583279
Cas No:2229860-99-3
常用名:(R)-Elexacaftor
别名:2-O-Glucosyloxy-4-methoxycinnamic acid
IUPAC:N-[(1,3-dimethyl-1H-pyrazol-4-yl)sulfonyl]-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)-1H-pyrazol-1-yl]-2-[(4R)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
IUPAC:N-[(1,3-dimethyl-1H-pyrazol-4-yl)sulfonyl]-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)-1H-pyrazol-1-yl]-2-[(4R)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
InChI key:MVRHVFSOIWFBTE-MRXNPFEDSA-N

分子式:C26H34F3N7O4S
分子量:597.66
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:C[C@H]1CN(c2nc(ccc2C(=O)NS(=O)(=O)c2cn(C)nc2C)-n2ccc(OCC(C)(C)C(F)(F)F)n2)C(C)(C)C1
SMILES:C[C@H]1CN(c2nc(ccc2C(=O)NS(=O)(=O)c2cn(C)nc2C)-n2ccc(OCC(C)(C)C(F)(F)F)n2)C(C)(C)C1

(R)-Elexacaftor(compound 37)是Elexacaftor(compound 1)的对映异构体。(R)-Elexacaftor是一种CFTR调节剂，对CFTR dF508的EC50=0.29 μM。

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