Name: (d(CH2)51,Tyr(Me)2,Arg8)-Vasopressin
Rating: 5 (10 reviews)

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HIT ID:HIT217629991
Cas No:73168-24-8
常用名:(d(CH2)51,Tyr(Me)2,Arg8)-Vasopressin
常用名:(d(CH2)51,Tyr(Me)2,Arg8)-Vasopressin
别名:[d(CH2)51,Tyr(Me)2]-AVP
IUPAC:(2S)-2-{[(2S)-1-[(10R,13S,16S,19S,22S)-19-benzyl-16-(2-carbamoylethyl)-13-(carbamoylmethyl)-22-[(4-methoxyphenyl)methyl]-12,15,18,21,24-pentaoxo-7,8-dithia-11,14,17,20,23-pentaazaspiro[5.19]pentacosane-10-carbonyl]pyrrolidin-2-yl]formamido}-5-carbamimidamido-N-(carbamoylmethyl)pentanamide
IUPAC:(2S)-2-{[(2S)-1-[(10R,13S,16S,19S,22S)-19-benzyl-16-(2-carbamoylethyl)-13-(carbamoylmethyl)-22-[(4-methoxyphenyl)methyl]-12,15,18,21,24-pentaoxo-7,8-dithia-11,14,17,20,23-pentaazaspiro[5.19]pentacosane-10-carbonyl]pyrrolidin-2-yl]formamido}-5-carbamimidamido-N-(carbamoylmethyl)pentanamide
InChI key:QVQOGNOOAMQKCE-ZTYVOHGWSA-N

分子式:C52H74N14O12S2
分子量:1151.37
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:COc1ccc(C[C@@H]2NC(=O)CC3(CCCCC3)SSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc3ccccc3)NC2=O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O)cc1
SMILES:COc1ccc(C[C@@H]2NC(=O)CC3(CCCCC3)SSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc3ccccc3)NC2=O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O)cc1

Selective vasopressin V1A receptor antagonist. Inhibits vasopressin and oxytocin-induced increases in intracellular calcium concentrations in vitro (IC50 values are 5 and 30 nM respectively). Exhibits potent and prolonged antivasopressor activity and induces anxiolytic-like effects in the dorsal, but not ventral, hippocampus in vivo.

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