methyl 5-phenylbicyclo[3.2.2]nonane-1-carboxylate | 1138335-30-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: methyl 5-phenylbicyclo[3.2.2]nonane-1-carboxylate
• 英文别名: 5-phenylbicyclo[3.2.2]nonane-1-carboxylic acid methyl ester
• CAS: 1138335-30-4
• 化学式: C₁₇H₂₂O₂
• 分子量: 258.36
• InChiKey: YWQNMRKKLJBOON-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  methyl 5-phenylbicyclo[3.2.2]nonane-1-carboxylate 在 甲醇 、 sodium hydroxide 、 水 作用下， 以534 mg的产率得到5-phenylbicyclo[3.2.2]nonane-1-carboxylic acid
  参考文献：
  名称：

  Discovery of a Potent, Selective, and Orally Efficacious Pyrimidinooxazinyl Bicyclooctaneacetic Acid Diacylglycerol Acyltransferase-1 Inhibitor

  摘要：

  Inhibition of DGAT-1 is increasingly seen as an attractive mechanism with the potential for treatment of obesity and other elements of the metabolic syndrome. We report here a bicyclooctaneacetic acid derivative in the pyrimidinooxazine structural class of DGAT-1 inhibitors that has good potency, selectivity, and pharmacokinetic characteristics across a variety of species. This compound is an effective inhibitor of DGAT-1 in both intestinal and adipose tissue, which results in a reduction in body weight or body weight gain following oral administration in both mouse and rat models of dietary-induced obesity.

  DOI：

  10.1021/jm801507v
• 作为产物：
  描述：

  methyl 5-bromobicyclo[3.2.2]nonane-1-carboxylate 、 苯 在 aluminum (III) chloride 盐酸 、 水 作用下， 生成 methyl 5-phenylbicyclo[3.2.2]nonane-1-carboxylate
  参考文献：
  名称：

  WO2007/71966

  摘要：

  公开号：

文献信息

• WO2007/71966
  申请人：——

  公开号：——

  公开（公告）日：——
• Discovery of a Potent, Selective, and Orally Efficacious Pyrimidinooxazinyl Bicyclooctaneacetic Acid Diacylglycerol Acyltransferase-1 Inhibitor
  作者：Alan M. Birch、Susan Birtles、Linda K. Buckett、Paul D. Kemmitt、Graham J. Smith、Tim J. D. Smith、Andrew V. Turnbull、Steven J. Y. Wang

  DOI：10.1021/jm801507v

  日期：2009.3.26

  Inhibition of DGAT-1 is increasingly seen as an attractive mechanism with the potential for treatment of obesity and other elements of the metabolic syndrome. We report here a bicyclooctaneacetic acid derivative in the pyrimidinooxazine structural class of DGAT-1 inhibitors that has good potency, selectivity, and pharmacokinetic characteristics across a variety of species. This compound is an effective inhibitor of DGAT-1 in both intestinal and adipose tissue, which results in a reduction in body weight or body weight gain following oral administration in both mouse and rat models of dietary-induced obesity.