3-{2-(Isopropoxycarbonylamino-methyl)-4-[2-(5-methyl-2-morpholin-4-yl-thiazol-4-yl)-ethoxy]-phenyl}-propionic acid tert-butyl ester | 478541-71-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3-{2-(Isopropoxycarbonylamino-methyl)-4-[2-(5-methyl-2-morpholin-4-yl-thiazol-4-yl)-ethoxy]-phenyl}-propionic acid tert-butyl ester
• 英文别名: tert-butyl 3-[4-[2-(5-methyl-2-morpholin-4-yl-1,3-thiazol-4-yl)ethoxy]-2-[(propan-2-yloxycarbonylamino)methyl]phenyl]propanoate
• CAS: 478541-71-8
• 化学式: C₂₈H₄₁N₃O₆S
• 分子量: 547.716
• InChiKey: PYQHDAIWCQUMLK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  38
• 可旋转键数：
  14
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  128
• 氢给体数：
  1
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  3-{2-(Isopropoxycarbonylamino-methyl)-4-[2-(5-methyl-2-morpholin-4-yl-thiazol-4-yl)-ethoxy]-phenyl}-propionic acid tert-butyl ester 在 苯甲醚 、 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 以60%的产率得到3-(2-((Isopropoxycarbonyl)methyl)-4-(2-(5-methyl-2-morpholinothiazol-4-yl)ethoxy)phenyl)propanoic acid
  参考文献：
  名称：

  Synthesis and evaluation of aminomethyl dihydrocinnamates as a new class of PPAR ligands

  摘要：

  PPAR ligands with varied subtype selectivity have been synthesized using an achiral aminomethyl dihydrocinnamate template. Several compounds in this series have demonstrated potent plasma glucose and triglyceride lowering capability in rodent models of type 2 diabetes. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.09.011
• 作为产物：
  描述：

  2-溴-5-羟基苯甲醛 在 palladium on activated charcoal 吡啶 、 palladium diacetate 、 TEA 、 盐酸羟胺 、 氢气 、 caesium carbonate 、 N,N-二异丙基乙胺 、 三(邻甲基苯基)磷 作用下， 以 乙醇 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 生成 3-{2-(Isopropoxycarbonylamino-methyl)-4-[2-(5-methyl-2-morpholin-4-yl-thiazol-4-yl)-ethoxy]-phenyl}-propionic acid tert-butyl ester
  参考文献：
  名称：

  Synthesis and evaluation of aminomethyl dihydrocinnamates as a new class of PPAR ligands

  摘要：

  PPAR ligands with varied subtype selectivity have been synthesized using an achiral aminomethyl dihydrocinnamate template. Several compounds in this series have demonstrated potent plasma glucose and triglyceride lowering capability in rodent models of type 2 diabetes. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.09.011

文献信息

• Modulators of peroxisome proliferator activated receptors (ppar)
  申请人：Gossett Stacy Lynn

  公开号：US20050075378A1

  公开（公告）日：2005-04-07

  The present invention is directed to a compound of formula I, and pharmaceutically acceptable salts, solvates, hydrates or stereoisomer thereof, which are useful in treating Syndrome X, Type II diabetes, hyperglycemia, hyperlipidemia, obesity, coagaulopathy, hypertension, arteriosclerosis, and other disorders related to Syndrome X as well as cardiovascular diseases.

  本发明涉及一种I式化合物，以及其药学上可接受的盐、溶剂、水合物或立体异构体，该化合物在治疗X综合征、2型糖尿病、高血糖、高脂血症、肥胖症、凝血障碍、高血压、动脉硬化以及与X综合征相关的其他疾病以及心血管疾病方面有用。
• Modulators of peroxisome proliferator activated receptors (PPAR)
  申请人：Eli Lilly and Company

  公开号：US07282501B2

  公开（公告）日：2007-10-16

  The present invention is directed to a compound of formula I, and pharmaceutically acceptable salts, solvates, hydrates or stereoisomer thereof, which are useful in treating Syndrome X, Type II diabetes, hyperglycemia, hyperlipidemia, obesity, coagaulopathy, hypertension, arteriosclerosis, and other disorders related to Syndrome X as well as cardiovascular diseases.

  本发明涉及一种I式化合物，以及其药学上可接受的盐，溶剂合物，水合物或立体异构体，该化合物可用于治疗X综合征，2型糖尿病，高血糖，高脂血症，肥胖症，凝血障碍，高血压，动脉硬化以及与X综合征相关的其他疾病，以及心血管疾病。
• MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS (PPAR)
  申请人：Gossett Lynn Stacy

  公开号：US20080167310A1

  公开（公告）日：2008-07-10

  The present invention is directed to a compound of formula I, and pharmaceutically acceptable salts, solvates, hydrates or stereoisomer thereof, which are useful in treating Syndrome X, Type II diabetes, hyperglycemia, hyperlipidemia, obesity, coagaulopathy, hypertension, arteriosclerosis, and other disorders related to Syndrome X as well as cardiovascular diseases.

  本发明涉及公式I的化合物及其药学上可接受的盐、溶剂化合物、水合物或立体异构体，其可用于治疗X综合症、II型糖尿病、高血糖、高血脂、肥胖症、凝血异常、高血压、动脉硬化以及与X综合症和心血管疾病有关的其他疾病。
• US7282501B2
  申请人：——

  公开号：US7282501B2

  公开（公告）日：2007-10-16
• [EN] MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS (PPAR)<br/>[FR] MODULATEURS DES RECEPTEURS ACTIVES PAR LES PROLIFERATEURS DU PEROXISOME (PPAR)
  申请人：LILLY CO ELI

  公开号：WO2002100403A1

  公开（公告）日：2002-12-19

  The present invention is directed to a compound of formula I, and pharmaceutically acceptable salts, solvates, hydrates or stereoisomer thereof, which are useful in treating Syndrome X, Type II diabetes, hyperglycemia, hyperlipidemia, obesity, coagaulopathy, hypertension, arteriosclerosis, and other disorders related to Syndrome X as well as cardiovascular diseases.