Name: TP0628103 TFA
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT220772442
Cas No:2865106-78-9
常用名:TP0628103 TFA
IUPAC:(2S)-4-[({[(1S)-1-{[(1S)-1-{[4-(4-{[(2R)-6-amino-1-[(3S)-3-aminopyrrolidin-1-yl]-1-oxohexan-2-yl]carbamoyl}piperidine-1-carbonyl)phenyl]carbamoyl}-2,2-dimethylpropyl]carbamoyl}-2-(pyridin-4-yl)ethyl]carbamoyl}methyl)carbamoyl]-2-[4-chloro-3-(trifluoromethyl)benzenesulfonamido]butanoic acid; trifluoroacetic acid
IUPAC:(2S)-4-[({[(1S)-1-{[(1S)-1-{[4-(4-{[(2R)-6-amino-1-[(3S)-3-aminopyrrolidin-1-yl]-1-oxohexan-2-yl]carbamoyl}piperidine-1-carbonyl)phenyl]carbamoyl}-2,2-dimethylpropyl]carbamoyl}-2-(pyridin-4-yl)ethyl]carbamoyl}methyl)carbamoyl]-2-[4-chloro-3-(trifluoromethyl)benzenesulfonamido]butanoic acid; trifluoroacetic acid
InChI key:InChIKey=PEHYRAQNIDNHJJ-YMEGFZGKSA-N

分子式:C53H68ClF6N11O13S
分子量:1248.69
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:OC(=O)C(F)(F)F.CC(C)(C)[C@H](NC(=O)[C@H](Cc1ccncc1)NC(=O)CNC(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)c(c1)C(F)(F)F)C(O)=O)C(=O)Nc1ccc(cc1)C(=O)N1CCC(CC1)C(=O)N[C@H](CCCCN)C(=O)N1CC[C@H](N)C1
SMILES:OC(=O)C(F)(F)F.CC(C)(C)[C@H](NC(=O)[C@H](Cc1ccncc1)NC(=O)CNC(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)c(c1)C(F)(F)F)C(O)=O)C(=O)Nc1ccc(cc1)C(=O)N1CCC(CC1)C(=O)N[C@H](CCCCN)C(=O)N1CC[C@H](N)C1

TP0628103 (Compound 18) TFA 是一种 MMP-7 的选择性抑制剂，其 IC50 值为 0.17 nM，在癌症和纤维化的病理过程中起到关键作用。

市场产品/服务共显示1个结果

您无法确定哪种化合物库最适合您的项目？或者您需要定制解决方案？Anymole随时为您提供帮助。

电话：400820-0310

合作：info@screeningcompound.com

技术支持：tech@screeningcompound.com

客服：service@screeningcompound.com

正在加载 ~