Name: L-368899 free base
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214317605
Cas No:148927-60-0
常用名:L-368899 free base
别名:L-368899, L368899, L-368,899, L368,899, L 368899, L 368,899
别名:L-368899, L368899, L-368,899, L368,899, L 368899, L 368,899
IUPAC:(2S)-2-amino-N-[(1S,2S,4R)-7,7-dimethyl-1-({[4-(2-methylphenyl)piperazin-1-yl]sulfonyl}methyl)bicyclo[2.2.1]heptan-2-yl]-4-methanesulfonylbutanamide
IUPAC:(2S)-2-amino-N-[(1S,2S,4R)-7,7-dimethyl-1-({[4-(2-methylphenyl)piperazin-1-yl]sulfonyl}methyl)bicyclo[2.2.1]heptan-2-yl]-4-methanesulfonylbutanamide
InChI key:MWIASLNTAGRGGA-ZJPWWDJASA-N

分子式:C26H42N4O5S2
分子量:554.77
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]12CC[C@@](CS(=O)(=O)N3CCN(CC3)c3ccccc3C)([C@H](C1)NC(=O)[C@@H](N)CCS(C)(=O)=O)C2(C)C |@:35,TLB:24:22:35:2.3|
SMILES:[H][C@@]12CC[C@@](CS(=O)(=O)N3CCN(CC3)c3ccccc3C)([C@H](C1)NC(=O)[C@@H](N)CCS(C)(=O)=O)C2(C)C |@:35,TLB:24:22:35:2.3|

L-368899 is a non-peptide and orally active antagonist of oxytocin receptor (IC50: 8.9 nM). It displays 40-fold selectivity over vasopressin V1a and V2 receptors (IC50: 370 and 570 nM respectively).

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