[(6-Methylpyridin-3-yl)methyl](propan-2-yl)amine | 1152851-27-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: [(6-Methylpyridin-3-yl)methyl](propan-2-yl)amine
• 英文别名: N-[(6-methylpyridin-3-yl)methyl]propan-2-amine
• CAS: 1152851-27-8
• 化学式: C₁₀H₁₆N₂
• 分子量: 164.25
• InChiKey: KUJVPTTXJVZVAY-UHFFFAOYSA-N

物化性质

• 沸点：
  240.9±25.0 °C(Predicted)
• 密度：
  0.944±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  24.9
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  5-(2,3-Dichlorophenoxy)-1,3-dimethylpyrazole-4-carboxylic acid 、 [(6-Methylpyridin-3-yl)methyl](propan-2-yl)amine 在 N,N-二异丙基乙胺 、 N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 5-(2,3-dichlorophenoxy)-1,3-dimethyl-N-[(6-methylpyridin-3-yl)methyl]-N-propan-2-ylpyrazole-4-carboxamide
  参考文献：
  名称：

  Discovery of 5-phenoxy-1,3-dimethyl-1H-pyrazole-4-carboxamides as potent agonists of TGR5 via sequential combinatorial libraries

  摘要：

  Optimization of a high-throughput screening hit led to the discovery of a new series of 5-phenoxy-1,3-dimethyl-1H-pyrazole-4-carboxamides as highly potent agonists of TGR5. This novel chemotype was rapidly developed through iterative combinatorial library synthesis. It was determined that in vitro agonist potency correlated with functional activity data from human peripheral blood monocytes. (c) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.12.076
• 作为产物：
  描述：

  5-甲酰基-2-甲基吡啶 在 sodium tetrahydroborate 、 碳酸氢钠 作用下， 以 甲醇 为溶剂， 反应 19.0h， 生成 [(6-Methylpyridin-3-yl)methyl](propan-2-yl)amine
  参考文献：
  名称：

  Discovery of 5-phenoxy-1,3-dimethyl-1H-pyrazole-4-carboxamides as potent agonists of TGR5 via sequential combinatorial libraries

  摘要：

  Optimization of a high-throughput screening hit led to the discovery of a new series of 5-phenoxy-1,3-dimethyl-1H-pyrazole-4-carboxamides as highly potent agonists of TGR5. This novel chemotype was rapidly developed through iterative combinatorial library synthesis. It was determined that in vitro agonist potency correlated with functional activity data from human peripheral blood monocytes. (c) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.12.076

文献信息

• SUBSTITUTED BICYCLIC PYRIMIDINES
  申请人：Bacon Edward R.

  公开号：US20110053920A1

  公开（公告）日：2011-03-03

  The present invention is related to chemical compositions, processes for the preparation thereof and uses of the composition. Particularly, the present invention relates to compositions that include substituted heterobicyclic pyrimidines of Formula (I): wherein R 1 , R 2 , R 3 , R 4 , R 5 , X, W, and ring A are as defined herein; pharmaceutical compositions of substituted heterobicyclic pyrimidines of Formula (I); and their use in the treatment of chronic neurodegenerative diseases, neurotraumatic diseases, depression and/or diabetes. More particularly, the present invention relates to substituted pyrazolopyrimidines of Formula (I).

  本发明涉及化学组合物，其制备过程和组合物的用途。特别地，本发明涉及包括式（I）的取代杂双环嘧啶的组合物：其中R1，R2，R3，R4，R5，X，W和环A的定义如本文所述；取代杂双环嘧啶的药物组合物；以及它们在治疗慢性神经退行性疾病、神经创伤性疾病、抑郁症和/或糖尿病中的应用。更具体地，本发明涉及式（I）的取代吡唑并嘧啶。
• BICYCLIC IMIDAZOLO DERIVATIVE
  申请人：Sumitomo Dainippon Pharma Co., Ltd.

  公开号：US20180044343A1

  公开（公告）日：2018-02-15

  Disclosed are compounds, having the following structure, useful as inhibitors of Phosphodiesterase 1 (PDE1), compositions comprising the compounds, and methods of using the same.
• US8354414B2
  申请人：——

  公开号：US8354414B2

  公开（公告）日：2013-01-15
• Discovery of 5-phenoxy-1,3-dimethyl-1H-pyrazole-4-carboxamides as potent agonists of TGR5 via sequential combinatorial libraries
  作者：Allyn T. Londregan、David W. Piotrowski、Kentaro Futatsugi、Joseph S. Warmus、Markus Boehm、Philip A. Carpino、Janice E. Chin、Ann M. Janssen、Nicole S. Roush、Joanne Buxton、Terri Hinchey

  DOI：10.1016/j.bmcl.2012.12.076

  日期：2013.3

  Optimization of a high-throughput screening hit led to the discovery of a new series of 5-phenoxy-1,3-dimethyl-1H-pyrazole-4-carboxamides as highly potent agonists of TGR5. This novel chemotype was rapidly developed through iterative combinatorial library synthesis. It was determined that in vitro agonist potency correlated with functional activity data from human peripheral blood monocytes. (c) 2013 Elsevier Ltd. All rights reserved.