N-(3-吡啶基甲基)-2-丁胺 | 869941-70-8

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: N-(3-吡啶基甲基)-2-丁胺
• 英文名称: N-(pyridin-3-ylmethyl)butan-2-amine
• CAS: 869941-70-8
• 化学式: C₁₀H₁₆N₂
• mdl: MFCD04519340
• 分子量: 164.25
• InChiKey: VPTLWUJKNPIUIP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  12
• 可旋转键数：
  4
• 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 、 N-(3-吡啶基甲基)-2-丁胺 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 N-butan-2-yl-5-(2,3-dichlorophenoxy)-1,3-dimethyl-N-(pyridin-3-ylmethyl)pyrazole-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：

  在 sodium tetrahydroborate 作用下， 以 甲醇 为溶剂， 反应 3.0h， 生成 N-(3-吡啶基甲基)-2-丁胺
  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

• EP1324985A4
  申请人：——

  公开号：EP1324985A4

  公开（公告）日：2004-10-06
• INHIBITORS OF PRENYL-PROTEIN TRANSFERASE
  申请人：Merck & Co., Inc.

  公开号：EP1324985A1

  公开（公告）日：2003-07-09
• [EN] INHIBITORS OF PRENYL-PROTEIN TRANSFERASE<br/>[FR] INHIBITEURS DE LA PRENYL-PROTEINE TRANSFERASE
  申请人：MERCK & CO INC

  公开号：WO2002028831A1

  公开（公告）日：2002-04-11

  The present invention is directed to fused bicyclic compounds which inhibit prenyl-protein transferase and the prenylation of the oncogene protein Ras. The invention is further directed to chemotherapeutic compositions containing the compounds of this invention and methods for inhibiting prenyl-protein transferase and the prenylation of the oncogene protein Ras.
• 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.