3-Hydroxy-N,2-dimethylbenzamide | 1190090-14-2

• 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-Hydroxy-N,2-dimethylbenzamide
• CAS: 1190090-14-2
• 化学式: C₉H₁₁NO₂
• 分子量: 165.192
• InChiKey: YOQUNXVZAPHUBJ-UHFFFAOYSA-N

物化性质

• 沸点：
  296.5±33.0 °C(Predicted)
• 密度：
  1.143±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  49.3
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-[(2R)-4-benzoyl-2-methyl-piperazin-1-yl]-2-bromo-propan-1-one 、 3-Hydroxy-N,2-dimethylbenzamide 在 caesium carbonate 作用下， 以 丙酮 为溶剂， 反应 24.0h， 生成 3-[1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-1-oxopropan-2-yl]oxy-N,2-dimethylbenzamide
  参考文献：
  名称：

  Discovery of a small molecule inhibitor through interference with the gp120–CD4 interaction

  摘要：

  A series of piperazine derivatives were designed and synthesised as gp120-CD4 inhibitors. SAR studies led to the discovery of potent inhibitors in a cell based anti viral assay represented by compounds 9 and 28. The rat pharmacokinetic and antiviral profiles of selected compounds are also presented. Crown Copyright (C) 2009 Published by Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.06.080

文献信息

• Compounds and Methods For Treatment of Thrombosis
  申请人：Deng Hongfeng

  公开号：US20080146811A1

  公开（公告）日：2008-06-19

  The invention provides compounds, pharmaceutical compositions, and methods for the treatment of thromboembolic disorders, such as, for example, arterial cardiovascular thromboembolic disorders, venous cardiovascular thromboembolic disorders, or thromboembolic disorders in the chambers of the heart.

  本发明提供了用于治疗血栓栓塞性疾病的化合物、制药组合物和方法，例如，动脉心血管血栓栓塞性疾病、静脉心血管血栓栓塞性疾病或心脏房室的血栓栓塞性疾病。
• Discovery of a small molecule inhibitor through interference with the gp120–CD4 interaction
  作者：David H. Williams、Fiona Adam、David R. Fenwick、Juin Fok-Seang、Iain Gardner、Duncan Hay、Rawal Jaiessh、Donald S. Middleton、Charles E. Mowbray、Tanya Parkinson、Manos Perros、Christopher Pickford、Michelle Platts、Amy Randall、Daniel Siddle、Peter T. Stephenson、Thien-Duc Tran、Hannah Vuong

  DOI：10.1016/j.bmcl.2009.06.080

  日期：2009.9

  A series of piperazine derivatives were designed and synthesised as gp120-CD4 inhibitors. SAR studies led to the discovery of potent inhibitors in a cell based anti viral assay represented by compounds 9 and 28. The rat pharmacokinetic and antiviral profiles of selected compounds are also presented. Crown Copyright (C) 2009 Published by Elsevier Ltd. All rights reserved.