(3-amino-benzyl)-methyl-(tetrahydro-pyran-4-yl)-amine | 874888-87-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (3-amino-benzyl)-methyl-(tetrahydro-pyran-4-yl)-amine
• 英文别名: N-[(3-Aminophenyl)methyl]-N-methyloxan-4-amine
• CAS: 874888-87-6
• 化学式: C₁₃H₂₀N₂O
• mdl: MFCD12089016
• 分子量: 220.315
• InChiKey: BNVIFVPGRJXMMR-UHFFFAOYSA-N

物化性质

• 沸点：
  360.1±37.0 °C(Predicted)
• 密度：
  1.08±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.538
• 拓扑面积：
  38.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (3-amino-benzyl)-methyl-(tetrahydro-pyran-4-yl)-amine 生成 [3-(3,4-dichloro-benzoylamino)-benzyl]-dimethyl-(tetrahydro-pyran-4-yl)-ammonium iodide
  参考文献：
  名称：

  Potent and selective CC-chemokine receptor-2 (CCR2) antagonists as a potential treatment for asthma

  摘要：

  A number of compounds bearing a quaternary ammonium moiety were found to be antagonists with nanomolar binding affinity for the chemokine receptor-2. The structure-activity relationships in the series are described herein along with some detailed characterization of the interesting compounds. (c) 2007 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2007.01.115
• 作为产物：
  描述：

  (3-nitro-benzyl)-(tetrahydro-pyran-4-yl)-amine 在 三乙酰氧基硼氢化钠 、 tin(ll) chloride 作用下， 以 四氢呋喃 、 二氯甲烷 、 水 为溶剂， 反应 5.0h， 生成 (3-amino-benzyl)-methyl-(tetrahydro-pyran-4-yl)-amine
  参考文献：
  名称：

  Potent and selective CC-chemokine receptor-2 (CCR2) antagonists as a potential treatment for asthma

  摘要：

  A number of compounds bearing a quaternary ammonium moiety were found to be antagonists with nanomolar binding affinity for the chemokine receptor-2. The structure-activity relationships in the series are described herein along with some detailed characterization of the interesting compounds. (c) 2007 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2007.01.115

文献信息

• [EN] QUATERNARY SALT CCR2 ANTAGONISTS<br/>[FR] ANTAGONISTES DE CCR2 A BASE DE SELS QUATERNAIRES
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2006012135A1

  公开（公告）日：2006-02-02

  Quaternary salt compounds of Formula (I) or pharmaceutically acceptable forms thereof, which are CCR2 antagonists and are useful in preventing, treating or ameliorating CCR2 mediated inflammatory syndromes, disorders or diseases in a subject in need thereof.

  Formula (I)的四价盐化合物或其药学上可接受的形式，其为CCR2拮抗剂，可用于预防、治疗或改善CCR2介导的炎症综合征、疾病或症状。
• Quaternary salt CCR2 antagonists
  申请人：Lagu Bharat

  公开号：US20060293379A1

  公开（公告）日：2006-12-28

  Quaternary salt compounds of Formula (I) or pharmaceutically acceptable forms thereof, which are CCR2 antagonists and are useful in preventing, treating or ameliorating CCR2 mediated inflammatory syndromes, disorders or diseases in a subject in need thereof.

  Formula（I）的四价盐化合物或其药用可接受形式，是CCR2拮抗剂，可用于预防、治疗或改善需要的受体中介的炎症综合征、紊乱或疾病。
• QUATERNARY SALT CCR2 ANTAGONISTS
  申请人：Janssen Pharmaceutica NV

  公开号：EP1765803B1

  公开（公告）日：2016-03-09
• US7799824B2
  申请人：——

  公开号：US7799824B2

  公开（公告）日：2010-09-21
• Potent and selective CC-chemokine receptor-2 (CCR2) antagonists as a potential treatment for asthma
  作者：Bharat Lagu、Chrissy Gerchak、Meng Pan、Cuifen Hou、Monica Singer、Ravi Malaviya、Michele Matheis、Gil Olini、Druie Cavender、Michael Wachter

  DOI：10.1016/j.bmcl.2007.01.115

  日期：2007.8

  A number of compounds bearing a quaternary ammonium moiety were found to be antagonists with nanomolar binding affinity for the chemokine receptor-2. The structure-activity relationships in the series are described herein along with some detailed characterization of the interesting compounds. (c) 2007 Published by Elsevier Ltd.