Name: Urantide
Rating: 5 (10 reviews)

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HIT ID:HIT218852078
Cas No:669089-53-6
常用名:Urantide
IUPAC:(3S)-3-amino-3-{[(4R,7S,10S,13R,16S,19R)-10-(3-aminopropyl)-16-benzyl-4-{[(1S)-1-carboxy-2-methylpropyl]carbamoyl}-7-[(4-hydroxyphenyl)methyl]-13-[(1H-indol-3-yl)methyl]-20,20-dimethyl-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-19-yl]carbamoyl}propanoic acid
IUPAC:(3S)-3-amino-3-{[(4R,7S,10S,13R,16S,19R)-10-(3-aminopropyl)-16-benzyl-4-{[(1S)-1-carboxy-2-methylpropyl]carbamoyl}-7-[(4-hydroxyphenyl)methyl]-13-[(1H-indol-3-yl)methyl]-20,20-dimethyl-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-19-yl]carbamoyl}propanoic acid
InChI key:VXLUBANOZQJZFE-MSYIYWSESA-N

分子式:C51H66N10O12S2
分子量:1075.27
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O
SMILES:CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O

Selective and competitive urotensin-II (UT) receptor antagonist (pKB = 8.3). Blocks hU-II induced contractions in thoracic aorta ex vivo. Exhibits no effect on noradrenaline or endothelin 1-induced contraction or on acetylcholine-induced relaxation. Behaves as a partial agonist in a calcium mobilization assay (in CHO cells expressing hUT receptors).

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