(1R,2R)-2-({4-[4-({[3-(methylcarbamoyl)phenyl]carbamoyl}amino)phenyl]phenyl}carbonyl)cyclopentane-1-carboxylic acid | 1009296-66-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (1R,2R)-2-({4-[4-({[3-(methylcarbamoyl)phenyl]carbamoyl}amino)phenyl]phenyl}carbonyl)cyclopentane-1-carboxylic acid
• 英文别名: (1R,2R)-2-[4-[4-[[3-(methylcarbamoyl)phenyl]carbamoylamino]phenyl]benzoyl]cyclopentane-1-carboxylic acid
• CAS: 1009296-66-5
• 化学式: C₂₈H₂₇N₃O₅
• 分子量: 485.539
• InChiKey: FNAJRLWEZUMJRJ-DNQXCXABSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  36
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  125
• 氢给体数：
  4
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  (1R,2R)-2-{[4'-({[3-(3-methylcarbamoylphenyl)amino]carbonyl}amino)-1,1'-biphenyl-4-yl]carbonyl}cyclopentanecarboxylic acid methyl ester 在 lithium hydroxide 作用下， 以 四氢呋喃 、 水 为溶剂， 生成 (1R,2R)-2-({4-[4-({[3-(methylcarbamoyl)phenyl]carbamoyl}amino)phenyl]phenyl}carbonyl)cyclopentane-1-carboxylic acid
  参考文献：
  名称：

  Validation of Diacyl Glycerolacyltransferase I as a Novel Target for the Treatment of Obesity and Dyslipidemia Using a Potent and Selective Small Molecule Inhibitor

  摘要：

  A highly potent and selective DGAT-1 inhibitor was identified and used in rodent models of obesity and postprandial chylomicron excursion to validate DGAT-1 inhibition as a novel approach for the treatment of metabolic diseases. Specifically, compound 4a conferred weight loss and a reduction in liver triglycerides when dosed chronically in DIO mice and depleted serum triglycerides following a lipid challenge in a dose-dependent manner, thus, reproducing major phenotypical characteristics of DGAT-1(-/-) mice.

  DOI：

  10.1021/jm7013887