1,1-dimethylethyl N-[2-(3,6-dihydropyridin-1(2H)-yl)-2,2-dimethylethyl]carbamate | 847556-21-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯烷类
• 英文名称: 1,1-dimethylethyl N-[2-(3,6-dihydropyridin-1(2H)-yl)-2,2-dimethylethyl]carbamate
• 英文别名: tert-butyl N-[2-(3,6-dihydro-2H-pyridin-1-yl)-2-methylpropyl]carbamate
• CAS: 847556-21-2
• 化学式: C₁₄H₂₆N₂O₂
• 分子量: 254.373
• InChiKey: OGYYOLBBQFHZNM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  18
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.79
• 拓扑面积：
  41.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2-(3,6-dihydro-2H-pyridin-1-yl)-2-methyl-propylamine 、 二碳酸二叔丁酯 在 三乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 14.0h， 生成 1,1-dimethylethyl N-[2-(3,6-dihydropyridin-1(2H)-yl)-2,2-dimethylethyl]carbamate
  参考文献：
  名称：

  EP1661898

  摘要：

  公开号：

文献信息

• Bicyclic piperazine compound and use thereof
  申请人：Fukatsu Kohji

  公开号：US20070072865A1

  公开（公告）日：2007-03-29

  The present invention provides a compound represented by the formula: wherein R 1 is an acyl group, R 2 is a hydrocarbon group which may be substituted or the like, R 3 is a hydrocarbon group which may be substituted or the like, R 4 is a hydrocarbon group which may be substituted or the like, n is from 0 to 4, and X is an oxygen atom, a sulfur atom or the like, or a salt thereof. The invention also provides a compound which has a TGR23 antagonist activity and thus is useful for prevention and treatment of cancer.

  本发明提供一种化合物，其化学式为：其中，R1是酰基，R2是烃基，可以被取代或类似物，R3是烃基，可以被取代或类似物，R4是烃基，可以被取代或类似物，n为0至4，X为氧原子、硫原子或类似物或其盐。本发明还提供一种具有TGR23拮抗活性的化合物，因此可用于预防和治疗癌症。
• Bicyclic piperazine compound having TGR23 antagonistic activity
  申请人：Takeda Pharmaceutical Company Limited

  公开号：US07795267B2

  公开（公告）日：2010-09-14

  The present invention provides a compound represented by the formula: wherein R1 is —(C═O)—NR7R8 or —(C═O)—OR6, R2 is a hydrocarbon group which may be substituted or the like, R3 is a hydrocarbon group which may be substituted or the like, R4 is a hydrocarbon group which may be substituted or the like, n is from 0 to 4, and X is an oxygen atom, or a salt thereof. The invention also provides a compound which has a TGR23 antagonist activity and thus is useful for prevention and treatment of cancer.

  本发明提供了一种化合物，其表示为以下公式：其中R1为—（C═O）—NR7R8或—（C═O）—OR6，R2为可取代或类似的烃基，R3为可取代或类似的烃基，R4为可取代或类似的烃基，n为0至4，X为氧原子或其盐。本发明还提供了一种具有TGR23拮抗活性的化合物，因此可用于预防和治疗癌症。
• BICYCLIC PIPERAZINE COMPOUND AND USE THEREOF
  申请人：Takeda Pharmaceutical Company Limited

  公开号：EP1661898A1

  公开（公告）日：2006-05-31

  The present invention provides a compound represented by the formula: wherein R1 is an acyl group, R2 is a hydrocarbon group which may be substituted or the like, R3 is a hydrocarbon group which may be substituted or the like, R4 is a hydrocarbon group which may be substituted or the like, n is from 0 to 4, and X is an oxygen atom, a sulfur atom or the like, or a salt thereof. The invention also provides a compound which has a TGR23 antagonist activity and thus is useful for prevention and treatment of cancer.

  本发明提供了一种由式表示的化合物： 其中 R1 是酰基，R2 是可被取代的烃基或类似物，R3 是可被取代的烃基或类似物，R4 是可被取代的烃基或类似物，n 是 0 至 4，X 是氧原子、硫原子或类似物，或其盐。本发明还提供了一种化合物，它具有 TGR23 拮抗剂活性，因此可用于预防和治疗癌症。
• US7795267B2
  申请人：——

  公开号：US7795267B2

  公开（公告）日：2010-09-14