Name: BIM-23190
Rating: 5 (10 reviews)

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结构编辑

类似物检索

HIT ID:HIT214322829
Cas No:182153-96-4
常用名:BIM-23190
IUPAC:(2S,3R)-2-{[(4R,7S,10S,13R,16S,19R)-10-(4-aminobutyl)-7-ethyl-19-[(2R)-2-{2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamido}-3-phenylpropanamido]-16-[(4-hydroxyphenyl)methyl]-13-[(1H-indol-3-yl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl]formamido}-3-hydroxybutanamide
IUPAC:(2S,3R)-2-{[(4R,7S,10S,13R,16S,19R)-10-(4-aminobutyl)-7-ethyl-19-[(2R)-2-{2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamido}-3-phenylpropanamido]-16-[(4-hydroxyphenyl)methyl]-13-[(1H-indol-3-yl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl]formamido}-3-hydroxybutanamide
InChI key:YIGPOHXLINPVGT-CVGVOFIUSA-N

分子式:C57H79N13O12S2
分子量:1202.46
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CSSC[C@H](NC1=O)C(=O)N[C@@H]([C@@H](C)O)C(N)=O)NC(=O)[C@@H](Cc1ccccc1)NC(=O)CN1CCN(CCO)CC1
SMILES:CC[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CSSC[C@H](NC1=O)C(=O)N[C@@H]([C@@H](C)O)C(N)=O)NC(=O)[C@@H](Cc1ccccc1)NC(=O)CN1CCN(CCO)CC1

BIM-23190 is a somatostatin analog that acts as a selective agonist for SSTR2 and SSTR5 receptors. It displays potency with K i values of 0.34 nM and 11.1 nM for SSTR2 and SSTR5, respectively. BIM-23190 finds utility in cancer and acromegaly research.

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