(1R,2R)-2-{[4'-({[(3-chlorophenyl)amino]carbonyl}amino)-1,1'-biphenyl-4-yl]carbonyl}cyclopentanecarboxylic acid methyl ester | 959122-14-6

• 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'-({[(3-chlorophenyl)amino]carbonyl}amino)-1,1'-biphenyl-4-yl]carbonyl}cyclopentanecarboxylic acid methyl ester
• 英文别名: methyl (1R,2R)-2-{[4'-({[(3-chlorophenyl)amino]carbonyl}amino)-1,1'-biphenyl-4-yl]carbonyl}cyclopentanecarboxylate；methyl (1R,2R)-2-[4-[4-[(3-chlorophenyl)carbamoylamino]phenyl]benzoyl]cyclopentane-1-carboxylate
• CAS: 959122-14-6
• 化学式: C₂₇H₂₅ClN₂O₄
• 分子量: 476.959
• InChiKey: DCMDMFPUVGMPJC-DNQXCXABSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  34
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  84.5
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (1R,2R)-2-{[4'-({[(3-chlorophenyl)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'-({[(3-chlorophenyl)amino]carbonyl}amino)-1,1'-biphenyl-4-yl]carbonyl}cyclopentanecarboxylic 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
• 作为产物：
  描述：

  (1R,2R)-2-[(4-氨基-1,1-联苯-4-基)羰基]环戊烷羧酸甲酯 、 间氯苯异氰酸酯 以 四氢呋喃 为溶剂， 生成 (1R,2R)-2-{[4'-({[(3-chlorophenyl)amino]carbonyl}amino)-1,1'-biphenyl-4-yl]carbonyl}cyclopentanecarboxylic acid methyl ester
  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

文献信息

• WO2007/137107
  申请人：——

  公开号：——

  公开（公告）日：——