Name: Setmelanotide Acetate(920014-72-8 free base)
Rating: 5 (10 reviews)

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HIT ID:HIT214432529
Cas No:2759937-80-7
常用名:Setmelanotide Acetate(920014-72-8 free base)
常用名:Setmelanotide Acetate(920014-72-8 free base)
别名:RM-493 Acetate, IRC-022493 Acetate, BIM-22493 Acetate
别名:RM-493 Acetate, IRC-022493 Acetate, BIM-22493 Acetate
IUPAC:(4R,7S,10S,13R,16S,19R,22R)-13-benzyl-22-[(2S)-5-carbamimidamido-2-acetamidopentanamido]-10-(3-carbamimidamidopropyl)-16-[(1H-imidazol-5-yl)methyl]-7-[(1H-indol-3-yl)methyl]-19-methyl-6,9,12,15,18,21-hexaoxo-1,2-dithia-5,8,11,14,17,20-hexaazacyclotricosane-4-carboxamide; acetic acid
IUPAC:(4R,7S,10S,13R,16S,19R,22R)-13-benzyl-22-[(2S)-5-carbamimidamido-2-acetamidopentanamido]-10-(3-carbamimidamidopropyl)-16-[(1H-imidazol-5-yl)methyl]-7-[(1H-indol-3-yl)methyl]-19-methyl-6,9,12,15,18,21-hexaoxo-1,2-dithia-5,8,11,14,17,20-hexaazacyclotricosane-4-carboxamide; acetic acid
InChI key:BAJXLDXHOOSXOU-GZRAWZNHSA-N

分子式:C51H72N18O11S2
分子量:1177.37
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC(O)=O.C[C@H]1NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O
SMILES:CC(O)=O.C[C@H]1NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O

Setmelanotide Acetate(920014-72-8 free base) (RM-493 Acetate) 是黑皮质素 4 受体 (MC4R) 的选择性激动剂（人和大鼠 MC4R，EC50 分别为 0.27 nM 和 0.28 nM）。

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