Name: Stercobilin hydrochloride (mixture of isomers)
Rating: 5 (10 reviews)

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HIT ID:HIT217705610
Cas No:13129-80-1
常用名:Stercobilin hydrochloride (mixture of isomers)
常用名:Stercobilin hydrochloride (mixture of isomers)
IUPAC:3-(2-{[(2Z)-3-(2-carboxyethyl)-5-{[(2S,3R,4R)-4-ethyl-3-methyl-5-oxopyrrolidin-2-yl]methyl}-4-methyl-2H-pyrrol-2-ylidene]methyl}-5-{[(2S,3R,4R)-3-ethyl-4-methyl-5-oxopyrrolidin-2-yl]methyl}-4-methyl-1H-pyrrol-3-yl)propanoic acid hydrochloride
IUPAC:3-(2-{[(2Z)-3-(2-carboxyethyl)-5-{[(2S,3R,4R)-4-ethyl-3-methyl-5-oxopyrrolidin-2-yl]methyl}-4-methyl-2H-pyrrol-2-ylidene]methyl}-5-{[(2S,3R,4R)-3-ethyl-4-methyl-5-oxopyrrolidin-2-yl]methyl}-4-methyl-1H-pyrrol-3-yl)propanoic acid hydrochloride
InChI key:WPZBPYPTZWWARY-JRFVQKEISA-N

分子式:C33H47ClN4O6
分子量:631.21
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:Cl.CC[C@H]1[C@H](Cc2[nH]c(\C=C3/N=C(C[C@@H]4NC(=O)[C@H](CC)[C@H]4C)C(C)=C3CCC(O)=O)c(CCC(O)=O)c2C)NC(=O)[C@@H]1C
SMILES:Cl.CC[C@H]1[C@H](Cc2[nH]c(\C=C3/N=C(C[C@@H]4NC(=O)[C@H](CC)[C@H]4C)C(C)=C3CCC(O)=O)c(CCC(O)=O)c2C)NC(=O)[C@@H]1C

Stercobilin hydrochloride (mixture of isomers) 是由肠道细菌代谢生成的胆色素，同时兼具HIV蛋白酶 (HIVProtease) 的抑制效果，Ki值为 4 μM。该化合物能促进小鼠巨噬细胞RAW264细胞产生TNF-α和IL-1β，增强其促炎活性。Stercobilin hydrochloride (mixture of isomers) 主要应用于研究炎症反应和病毒感染。

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