Name: MM 54
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT218852040
Cas No:1313027-43-8
常用名:MM 54
IUPAC:(3S,6S,9R,14R,17S,22aS)-14-[(2S)-2-[(2S)-2-{[(3S,6S,9R,14R,17S,22aS)-14-amino-3,17-bis(3-carbamimidamidopropyl)-6-(2-methylpropyl)-1,4,7,15,18-pentaoxo-icosahydropyrrolo[2,1-m]1,2-dithia-5,8,11,14,17-pentaazacycloicosan-9-yl]formamido}-6-aminohexanamido]-3-(1H-imidazol-5-yl)propanamido]-3,17-bis(3-carbamimidamidopropyl)-6-(2-methylpropyl)-1,4,7,15,18-pentaoxo-icosahydropyrrolo[2,1-m]1,2-dithia-5,8,11,14,17-pentaazacycloicosane-9-carboxylic acid
IUPAC:(3S,6S,9R,14R,17S,22aS)-14-[(2S)-2-[(2S)-2-{[(3S,6S,9R,14R,17S,22aS)-14-amino-3,17-bis(3-carbamimidamidopropyl)-6-(2-methylpropyl)-1,4,7,15,18-pentaoxo-icosahydropyrrolo[2,1-m]1,2-dithia-5,8,11,14,17-pentaazacycloicosan-9-yl]formamido}-6-aminohexanamido]-3-(1H-imidazol-5-yl)propanamido]-3,17-bis(3-carbamimidamidopropyl)-6-(2-methylpropyl)-1,4,7,15,18-pentaoxo-icosahydropyrrolo[2,1-m]1,2-dithia-5,8,11,14,17-pentaazacycloicosane-9-carboxylic acid
InChI key:BMJYNYGARUVBJU-CSRTWURCSA-N

分子式:C70H121N29O15S4
分子量:1737.17
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC2=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@]2([H])CCCN2C(=O)[C@H](CCCNC(N)=N)NC1=O)C(O)=O
SMILES:[H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC2=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@]2([H])CCCN2C(=O)[C@H](CCCNC(N)=N)NC1=O)C(O)=O

Potent apelin receptor antagonist (Ki = 82 nM; IC50 = 93 nM). Antagonizes the inhibitory affect of [Pyr1]-Apelin-13 on forskolin-induced cAMP accumulation in CHO-K1-APJ cells. Recuces tumor expansion and lengthens survival time in a mouse xenograft model of glioblastoma.

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 ~