Name: OT-R agonist 1 TFA
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT219619390
Cas No:3039925-73-7
常用名:OT-R agonist 1 TFA
IUPAC:(2S,4R)-4-[(3,5-dihydroxyphenyl)methoxy]-2-(dimethylcarbamothioyl)-N-[(2-methyl-4-{4-methyl-2,4,5,9-tetraazatricyclo[8.4.0.0^{3,7}]tetradeca-1(10),3(7),5,11,13-pentaene-9-carbonyl}phenyl)methyl]pyrrolidine-1-carboxamide; trifluoroacetic acid
IUPAC:(2S,4R)-4-[(3,5-dihydroxyphenyl)methoxy]-2-(dimethylcarbamothioyl)-N-[(2-methyl-4-{4-methyl-2,4,5,9-tetraazatricyclo[8.4.0.0^{3,7}]tetradeca-1(10),3(7),5,11,13-pentaene-9-carbonyl}phenyl)methyl]pyrrolidine-1-carboxamide; trifluoroacetic acid
InChI key:InChIKey=LMMHRYYJYFKDSK-GAGCMDAMSA-N

分子式:C37H40F3N7O7S
分子量:783.82
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:OC(=O)C(F)(F)F.CN(C)C(=S)[C@@H]1C[C@H](CN1C(=O)NCc1ccc(cc1C)C(=O)N1Cc2cnn(C)c2Nc2ccccc12)OCc1cc(O)cc(O)c1
SMILES:OC(=O)C(F)(F)F.CN(C)C(=S)[C@@H]1C[C@H](CN1C(=O)NCc1ccc(cc1C)C(=O)N1Cc2cnn(C)c2Nc2ccccc12)OCc1cc(O)cc(O)c1

OT-R agonist 1 TFA (compound 5) 是一种作为催产素受体 (oxytocin receptor) 激动剂的化合物，其EC50值为0.39 nM。它也表现出V1A拮抗剂的活性，EC50值为2432 nM，可用于中枢神经系统疾病的研究。

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