(2-(2-methylpiperidin-1-yl)phenyl)methanamine | 869943-42-0

• 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: (2-(2-methylpiperidin-1-yl)phenyl)methanamine
• 英文别名: [2-(2-Methyl-1-piperidinyl)phenyl]methanamine；[2-(2-methylpiperidin-1-yl)phenyl]methanamine
• CAS: 869943-42-0
• 化学式: C₁₃H₂₀N₂
• 分子量: 204.315
• InChiKey: NADCYVQOPOFMSQ-UHFFFAOYSA-N

物化性质

• 沸点：
  336.0±25.0 °C(Predicted)
• 密度：
  1.013±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  29.3
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 危险等级：
  IRRITANT

反应信息

• 作为反应物：
  描述：

  (2-(2-methylpiperidin-1-yl)phenyl)methanamine 、 (S)-methyl3-(4-((amino(methylthio)methylene)carbamoyl)phenyl)-2-((tert-butoxycarbonyl)amino)propanoate 在 三乙胺 作用下， 以 甲苯 为溶剂， 反应 6.0h， 生成
  参考文献：
  名称：

  Discovery of acyl guanidine tryptophan hydroxylase-1 inhibitors

  摘要：

  An increasing number of diseases have been linked to a dysfunctional peripheral serotonin system. Given that tryptophan hydroxylase 1 (TPH1) is the rate limiting enzyme in the biosynthesis off serotonin, it represents an attractive target to regulate peripheral serotonin. Following up to our first disclosure, we report a new chemotype of TPH1 inhibitors where-by the more common central planar heterocycle has been replaced with an open-chain, acyl guanidine surrogate. Through our work, we found that compounds of this nature provide highly potent TPH1 inhibitors with favorable physicochemical properties that were effective in reducing murine intestinal 5-HT in vivo. Furthermore, we obtained a high resolution (1.90 angstrom) X-ray structure crystal structure of one of these inhibitors (compound 51) that elucidated the active conformation along with revealing a dimeric form of TPH1 for the first time. (C) 2016 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2016.04.057

文献信息

• Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants
  申请人：Zhang Xiaojun

  公开号：US20070003539A1

  公开（公告）日：2007-01-04

  The present invention provides novel phenylglycinamide derivatives of Formula (I) or (IV): or a stereoisomer, tautomer, pharmaceutically acceptable salt, solvate, or prodrug thereof, wherein the variables W, W 1 , Y, Z, R 7 , R 8 , R 9 , and R 11 are as defined herein. These compounds are selective inhibitors of factor VIIa which can be used as medicaments.

  本发明提供了式(I)或(IV)的新型苯基甘氨酰衍生物：或其立体异构体、互变异构体、药学上可接受的盐、溶剂合物或前药，其中变量W、W1、Y、Z、R7、R8、R9和R11如本文所定义。这些化合物是选择性因子VIIa的抑制剂，可用作药物。
• PHENYLGLYCINAMIDE AND PYRIDYLGLYCINAMIDE DERIVATIVES USEFUL AS ANTICOAGULANTS
  申请人：Bristol-Myers Squibb Company

  公开号：EP1910298A2

  公开（公告）日：2008-04-16
• US7456195B2
  申请人：——

  公开号：US7456195B2

  公开（公告）日：2008-11-25
• [EN] PHENYLGLYCINAMIDE AND PYRIDYLGLYCINAMIDE DERIVATIVES USEFUL AS ANTICOAGULANTS<br/>[FR] DERIVES DE PHENYLGLYCINAMIDE ET PYRIDYLGLYCINAMIDE UTILES EN TANT QUE ANTICOAGULANTS
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2007002313A2

  公开（公告）日：2007-01-04

  [EN] The present invention provides novel phenylglycinamide derivatives of Formula (I) or (IV): or a stereoisomer, tautomer, pharmaceutically acceptable salt, solvate, or prodrug thereof, wherein the variables W, W₁, Y, Z, R⁷, R⁸, R⁹, and R¹¹ are as defined herein. These compounds are selective inhibitors of factor VIIa which can be used as medicaments.
  [FR] La présente invention a trait à des dérivés de phénylglycinamide de formule (I) ou (IV), dans lesquelles les variables W, W₁, Y, Z, R⁷, R⁸, R⁹, et R¹¹ sont tels que définis dans la description; ou un stéréoisomère, tautomère, sel, solvate, ou prodrogue pharmaceutiquement acceptables de ceux-ci. Ces composés sont des inhibiteurs sélectifs de facteur VIIa qui peuvent être utilisés en tant que médicaments.