tert-butyl 1'-[4-(aminocarbonyl)phenyl]-4,4'-bipiperidine-1-carboxylate | 1034824-88-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: tert-butyl 1'-[4-(aminocarbonyl)phenyl]-4,4'-bipiperidine-1-carboxylate
• 英文别名: tert-butyl 1'-[4-(aminocarbonyl)phenyl]-4,4'-bipiperdine-1-carboxylate；Tert-butyl 1''-(4-carbamoylphenyl)-4,4''-bipiperidine-1-carboxylate；tert-butyl 4-[1-(4-carbamoylphenyl)piperidin-4-yl]piperidine-1-carboxylate
• CAS: 1034824-88-8
• 化学式: C₂₂H₃₃N₃O₃
• 分子量: 387.522
• InChiKey: WQRJQIVAIVUPIZ-UHFFFAOYSA-N

物化性质

• 沸点：
  554.8±50.0 °C(Predicted)
• 密度：
  1.143±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  28
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  75.9
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  tert-butyl 1'-[4-(aminocarbonyl)phenyl]-4,4'-bipiperidine-1-carboxylate 在 劳森试剂 作用下， 以 1,4-二氧六环 为溶剂， 反应 56.0h， 生成 tert-butyl 1'-[4-(aminocarbonothioyl)phenyl]-4,4'-bipiperidine-1-carboxylate
  参考文献：
  名称：

  WO2008/76243

  摘要：

  公开号：
• 作为产物：
  描述：

  tert-butyl 1'-[4-(cyano)phenyl]-4,4'-bipiperidine-1-carboxylate 在 sodium hydroxide 、 乙醇 、 水 作用下， 反应 18.0h， 生成 tert-butyl 1'-[4-(aminocarbonyl)phenyl]-4,4'-bipiperidine-1-carboxylate
  参考文献：
  名称：

  WO2008/76243

  摘要：

  公开号：

文献信息

• BIPIPERIDINYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT
  申请人：Wood Harold B.

  公开号：US20100029688A1

  公开（公告）日：2010-02-04

  Bipiperidinyl compounds of the formula I, are disclosed as useful for treating or preventing type 2 diabetes and similar conditions. Pharmaceutically acceptable salts and solvates are included as well. The compounds are useful as agonists of the g-protein coupled receptor GPR-119.

  公开了式I的双哌啶化合物，可用于治疗或预防2型糖尿病和类似疾病。药学上可接受的盐和溶剂也包括在内。这些化合物是G蛋白偶联受体GPR-119的激动剂。
• ACYL BIPIPERIDINYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT
  申请人：Wood Harold B.

  公开号：US20100075987A1

  公开（公告）日：2010-03-25

  Bipiperidyl compounds of the formula: (I) are disclosed as useful for treating or preventing type 2 diabetes and similar conditions. Pharmaceutically acceptable salts and solvates are included as well. The compounds are useful as agonists of the g-protein coupled receptor GPR-119.

  公开了式子为(I)的双哌啶类化合物，用于治疗或预防2型糖尿病和类似疾病。同时包括药用可接受的盐和溶剂。这些化合物可作为G蛋白偶联受体GPR-119的激动剂。
• BIPIPERIDINYL COMPOUNDS, COMPOSITIONS, CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT
  申请人：WOOD HAROLD B.

  公开号：US20120178681A1

  公开（公告）日：2012-07-12

  Bipiperidinyl compounds of the formula I, are disclosed as useful for treating or preventing type 2 diabetes and similar conditions. Pharmaceutically acceptable salts and solvates are included as well. The compounds are useful as agonists of the g-protein coupled receptor GPR-119.

  公开了式I的双哌啶化合物，可用于治疗或预防2型糖尿病和类似疾病。药学上可接受的盐和溶剂也包括在内。这些化合物可用作G蛋白偶联受体GPR-119的激动剂。
• WO2008/85316
  申请人：——

  公开号：——

  公开（公告）日：——
• Design of potent and selective GPR119 agonists for type II diabetes
  作者：Jason W. Szewczyk、John Acton、Alan D. Adams、Gary Chicchi、Stanley Freeman、Andrew D. Howard、Yong Huang、Cai Li、Peter T. Meinke、Ralph Mosely、Elizabeth Murphy、Rachel Samuel、Conrad Santini、Meng Yang、Yong Zhang、Kake Zhao、Harold B. Wood

  DOI：10.1016/j.bmcl.2010.12.086

  日期：2011.5

  Screening of the Merck sample collection identified compound 1 as a weakly potent GPR119 agonist (hEC(50) = 3600 nM). Dual termini optimization of 1 led to compound 36 having improved potency, selectivity, and formulation profile, however, modest physical properties (PP) hindered its utility. Design of a new core containing a cyclopropyl restriction yielded further PP improvements and when combined with the termini SAR optimizations yielded a potent and highly selective agonist suitable for further preclinical development (58). (C) 2011 Elsevier Ltd. All rights reserved.