tert-butyl 1'-phenyl-4,4'-bipiperidine-1-carboxylate | 1034827-02-5

• 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'-phenyl-4,4'-bipiperidine-1-carboxylate
• 英文别名: Tert-butyl 4-(1-phenylpiperidin-4-yl)piperidine-1-carboxylate
• CAS: 1034827-02-5
• 化学式: C₂₁H₃₂N₂O₂
• 分子量: 344.497
• InChiKey: FJRWMVVJEPYPMD-UHFFFAOYSA-N

物化性质

• 沸点：
  459.1±45.0 °C(Predicted)
• 密度：
  1.076±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  25
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  32.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  tert-butyl 1'-phenyl-4,4'-bipiperidine-1-carboxylate 在 bis(2,4,6-trimethylpyridine)iodine(I) hexafluorophosphate 作用下， 以 二氯甲烷 为溶剂， 反应 0.17h， 生成 tert-butyl 1'-(4-iodophenyl)-4,4'-bipiperidine-1-carboxylate
  参考文献：
  名称：

  WO2008/76243

  摘要：

  公开号：
• 作为产物：
  描述：

  N-boc-4,4-联哌啶 、 alkaline earth salt of/the/ methylsulfuric acid 在 palladium diacetate 、 caesium carbonate 、 2-二苯基磷-2'-(N,N-二甲氨基)联苯 作用下， 以 甲苯 为溶剂， 生成 tert-butyl 1'-phenyl-4,4'-bipiperidine-1-carboxylate
  参考文献：
  名称：

  Design of potent and selective GPR119 agonists for type II diabetes

  摘要：

  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.

  DOI：

  10.1016/j.bmcl.2010.12.086

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：——
• US8399485B2
  申请人：——

  公开号：US8399485B2

  公开（公告）日：2013-03-19