Name: Anti-inflammatory agent 65
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT218839835
Cas No:3035442-58-8
常用名:Anti-inflammatory agent 65
IUPAC:benzyl (4aS,6aS,6bR,8aR,9R,12aR,12bR,14bS)-9-{[(4-{5-[(3R)-1,2-dithiolan-3-yl]pentanamido}butanoyl)oxy]methyl}-2,2,6a,6b,9,12a-hexamethyl-10-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylate
IUPAC:benzyl (4aS,6aS,6bR,8aR,9R,12aR,12bR,14bS)-9-{[(4-{5-[(3R)-1,2-dithiolan-3-yl]pentanamido}butanoyl)oxy]methyl}-2,2,6a,6b,9,12a-hexamethyl-10-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylate
InChI key:CXYOHHBRPKBBGC-GNPGCPQZSA-N

分子式:C49H71NO6S2
分子量:834.23
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CCC(=O)[C@@](C)(COC(=O)CCCNC(=O)CCCC[C@@H]4CCSS4)[C@]3([H])CC[C@@]12C)C(=O)OCc1ccccc1
SMILES:[H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CCC(=O)[C@@](C)(COC(=O)CCCNC(=O)CCCC[C@@H]4CCSS4)[C@]3([H])CC[C@@]12C)C(=O)OCc1ccccc1

Anti-inflammatory agent 65（compound 29）是一种从常春藤酸衍生且具有有效抗炎活性的化合物。它能够抑制一氧化氮（NO）的释放，阻止IRF3和p65的核转位，破坏STING/IRF3/NF-κB信号通路，有效减弱炎症反应。

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