Name: Cgp 45715A
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT213841661
Cas No:125617-94-9
常用名:Cgp 45715A
别名:Cgp-45715A, Cgp45715A
IUPAC:sodium 7-{[(1R,2S,3E,5Z)-10-(4-acetyl-3-hydroxy-2-propylphenoxy)-1-hydroxy-1-[3-(trifluoromethyl)phenyl]deca-3,5-dien-2-yl]sulfanyl}-4-oxo-4H-chromene-2-carboxylate
IUPAC:sodium 7-{[(1R,2S,3E,5Z)-10-(4-acetyl-3-hydroxy-2-propylphenoxy)-1-hydroxy-1-[3-(trifluoromethyl)phenyl]deca-3,5-dien-2-yl]sulfanyl}-4-oxo-4H-chromene-2-carboxylate
InChI key:UVMDAJYLEKEIPJ-RWRWEHELSA-M

分子式:C38H36F3NaO8S
分子量:732.74
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[Na+].CCCc1c(O)c(ccc1OCCCC\C=C/C=C/[C@H](Sc1ccc2c(c1)oc(cc2=O)C([O-])=O)[C@H](O)c1cccc(c1)C(F)(F)F)C(C)=O
SMILES:[Na+].CCCc1c(O)c(ccc1OCCCC\C=C/C=C/[C@H](Sc1ccc2c(c1)oc(cc2=O)C([O-])=O)[C@H](O)c1cccc(c1)C(F)(F)F)C(C)=O

CGP 45715A (irukostat) is a potent peptide-leukotriene antagonist used to treat respiratory diseases by antagonizing the bronchial constriction, mucus secretion, and inflammatory effects of these leukotrienes.

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