Name: PPARγ agonist 17
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT219599652
Cas No:3054652-58-0
常用名:PPARγ agonist 17
IUPAC:(2S,4aS,6aS,6bR,8aR,10S,12aS,12bR,14bR)-10-[(2-{3-[2-(2,5-dimethylphenoxy)acetamido]phenyl}acetyl)oxy]-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-2-carboxylic acid
IUPAC:(2S,4aS,6aS,6bR,8aR,10S,12aS,12bR,14bR)-10-[(2-{3-[2-(2,5-dimethylphenoxy)acetamido]phenyl}acetyl)oxy]-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-2-carboxylic acid
InChI key:IWRCQTSSUNJKFR-IUNYWOABSA-N

分子式:C48H63NO7
分子量:766.032
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]12C[C@](C)(CC[C@]1(C)CC[C@]1(C)C2=CC(=O)[C@]2([H])[C@@]3(C)CC[C@H](OC(=O)Cc4cccc(NC(=O)COc5cc(C)ccc5C)c4)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O
SMILES:[H][C@@]12C[C@](C)(CC[C@]1(C)CC[C@]1(C)C2=CC(=O)[C@]2([H])[C@@]3(C)CC[C@H](OC(=O)Cc4cccc(NC(=O)COc5cc(C)ccc5C)c4)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O

PPARγ agonist17 (Compound C1) 为具口服活性的PPARγ激动剂。该化合物可增强PPARγ活性，阻滞HT-29细胞周期于G2/M期，抑制细胞迁移并诱导细胞凋亡 (apoptosis)。PPARγ agonist17 在癌细胞中表现出广谱抗增殖活性，对正常细胞的毒性较低，且无法穿过血脑屏障。

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