Name: PG-931
Rating: 5 (10 reviews)

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HIT ID:HIT218852032
Cas No:667430-81-1
常用名:PG-931
别名:PG 931
IUPAC:(2S)-N-[(3R,6S,9S,12S,20S,25aS)-3-benzyl-6-(3-carbamimidamidopropyl)-12-[(2S)-2-{[(1S)-1-carbamoyl-2-methylpropyl]carbamoyl}pyrrolidine-1-carbonyl]-9-[(1H-indol-3-yl)methyl]-1,4,7,10,18,21-hexaoxo-tetracosahydro-1H-pyrrolo[2,1-l]1,4,7,10,13,18-hexaazacyclotricosan-20-yl]-2-acetamidohexanamide
IUPAC:(2S)-N-[(3R,6S,9S,12S,20S,25aS)-3-benzyl-6-(3-carbamimidamidopropyl)-12-[(2S)-2-{[(1S)-1-carbamoyl-2-methylpropyl]carbamoyl}pyrrolidine-1-carbonyl]-9-[(1H-indol-3-yl)methyl]-1,4,7,10,18,21-hexaoxo-tetracosahydro-1H-pyrrolo[2,1-l]1,4,7,10,13,18-hexaazacyclotricosan-20-yl]-2-acetamidohexanamide
InChI key:WOFDJLFPEWSAPJ-YEJBJNCVSA-N

分子式:C59H85N15O11
分子量:1180.423
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]12CCCN1C(=O)[C@H](CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc1ccccc1)NC2=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(N)=O)NC(=O)[C@H](CCCC)NC(C)=O
SMILES:[H][C@@]12CCCN1C(=O)[C@H](CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc1ccccc1)NC2=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(N)=O)NC(=O)[C@H](CCCC)NC(C)=O

Potent and selective melanocortin 4 (MC4) receptor agonist (IC50 values are 0.58 and 55 nM for human MC4 and MC3 receptors respectively). Produces a rapid and dose dependent restoration of cardiovascular and respiratory function in hemorrhage-shocked rats.

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