Name: JKC363
Rating: 5 (10 reviews)

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HIT ID:HIT218852043
Cas No:436083-30-6
常用名:JKC363
别名:JKC 363
IUPAC:(3S)-3-[(2S)-6-amino-2-{[(2S)-1-[(2S)-1-[(4R,10S,13S,16R,19S,22S)-13-(3-carbamimidamidopropyl)-22-(2-carboxyethyl)-19-[(1H-imidazol-5-yl)methyl]-10-[(1H-indol-3-yl)methyl]-16-[(naphthalen-2-yl)methyl]-6,9,12,15,18,21,24-heptaoxo-1,2-dithia-5,8,11,14,17,20,23-heptaazacyclohexacosane-4-carbonyl]pyrrolidine-2-carbonyl]pyrrolidin-2-yl]formamido}hexanamido]-3-carbamoylpropanoic acid
IUPAC:(3S)-3-[(2S)-6-amino-2-{[(2S)-1-[(2S)-1-[(4R,10S,13S,16R,19S,22S)-13-(3-carbamimidamidopropyl)-22-(2-carboxyethyl)-19-[(1H-imidazol-5-yl)methyl]-10-[(1H-indol-3-yl)methyl]-16-[(naphthalen-2-yl)methyl]-6,9,12,15,18,21,24-heptaoxo-1,2-dithia-5,8,11,14,17,20,23-heptaazacyclohexacosane-4-carbonyl]pyrrolidine-2-carbonyl]pyrrolidin-2-yl]formamido}hexanamido]-3-carbamoylpropanoic acid
InChI key:DBHQKXPXPFYXHK-DUOXTXSESA-N

分子式:C69H91N19O16S2
分子量:1506.72
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)NCC(=O)N1)C(=O)N[C@@H](CC(O)=O)C(N)=O
SMILES:NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)NCC(=O)N1)C(=O)N[C@@H](CC(O)=O)C(N)=O

Potent and selective melanocortin MC4 receptor antagonist (IC50 values are 0.5 and 44.9 nM at MC4 and MC3 respectively) that antagonizes the effects of α-MSH. Suppresses thyrotropin-releasing hormone (TRH) release, attenuates food intake and reduces formalin-induced pain in vivo.

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