Name: BA 1
Rating: 5 (10 reviews)

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HIT ID:HIT218697963
Cas No:183241-31-8
常用名:BA 1
IUPAC:(2S)-2-[(2R)-2-amino-3-(4-hydroxyphenyl)propanamido]-N-[(1S)-1-{[(1S)-1-{[(1S)-1-[(2-{[(1S)-1-{[(1S)-1-{[(1S)-1-carbamoylpentyl]carbamoyl}-2-phenylethyl]carbamoyl}-2-(1H-imidazol-5-yl)ethyl]carbamoyl}ethyl)carbamoyl]-2-methylpropyl]carbamoyl}ethyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]pentanediamide
IUPAC:(2S)-2-[(2R)-2-amino-3-(4-hydroxyphenyl)propanamido]-N-[(1S)-1-{[(1S)-1-{[(1S)-1-[(2-{[(1S)-1-{[(1S)-1-{[(1S)-1-carbamoylpentyl]carbamoyl}-2-phenylethyl]carbamoyl}-2-(1H-imidazol-5-yl)ethyl]carbamoyl}ethyl)carbamoyl]-2-methylpropyl]carbamoyl}ethyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]pentanediamide
InChI key:GHNLDCGDRKOMDH-WFQHPHTQSA-N

分子式:C57H76N14O11
分子量:1133.322
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(C)C)C(N)=O
SMILES:CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(C)C)C(N)=O

Potent bombesin receptor agonist (IC50 values are 0.26, 1.55 and 2.52 nM for BB1, BB2 and BB3 respectively). Enhances glucose transport in obese and diabetic primary myocytes. Also stimulates NCI-H1299 lung cancer cell proliferation in vitro.

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