N-[(3-溴苯基)亚甲基]-2,2-二甲氧基乙胺 | 497863-61-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: N-[(3-溴苯基)亚甲基]-2,2-二甲氧基乙胺
• 英文名称: m-bromobenzalaminoacetal
• 英文别名: N-[(3-Bromophenyl)methylene]-2,2-dimethoxyethanamine；1-(3-bromophenyl)-N-(2,2-dimethoxyethyl)methanimine
• CAS: 497863-61-3
• 化学式: C₁₁H₁₄BrNO₂
• 分子量: 272.142
• InChiKey: YSHLGZYOYSZWIS-UHFFFAOYSA-N

物化性质

• 沸点：
  314.0±42.0 °C(Predicted)
• 密度：
  1.29±0.1 g/cm3(Predicted)
• 溶解度：
  可溶于氯仿、二氯甲烷、乙酸乙酯、甲醇

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  15
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  30.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  N-[(3-溴苯基)亚甲基]-2,2-二甲氧基乙胺 在 三甲基铝 作用下， 以 二氯甲烷 为溶剂， 生成 (2E) N-{4-[(2-tert-butylaminosulfonyl)phenyl]-2-fluorophenyl}-3-(isoquinolin-7-yl)-2-fluoro-3-methylacrylamide
  参考文献：
  名称：

  Substituted acrylamides as factor Xa inhibitors: improving bioavailability by P1 modification

  摘要：

  To overcome the low bioavailability of our substituted acrylamide P1 benzamidine factor Xa inhibitors reported previously, neutral and less basic groups were used to replace the benzamidine. As a result, a series of P1 aminoisoquinoline substituted acrylamide Xa inhibitors was identified to be potent, selective, and orally bioavailable. Modification of P4 moiety of these compounds further improved their pharmacokinetic properties. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00304-9
• 作为产物：
  描述：

  间溴苯甲醛 、 氨基乙醛缩二甲醇 以 苯 为溶剂， 反应 7.0h， 生成 N-[(3-溴苯基)亚甲基]-2,2-二甲氧基乙胺
  参考文献：
  名称：

  Discovery of Potent and Practical Antiangiogenic Agents Inspired by Cortistatin A

  摘要：

  The discovery that cortistatins A and J show noteworthy antiangiogenic activity prompted an investigation of the possibility that simpler and much more easily made compounds based on a steroid core might have useful bioactivity. These studies have led to the development of several potent, water-soluble compounds that may be suitable for local application to treat ocular wet macular degeneration, an important cause of blindness, as well as for treatment of various other angiogenesis-dependent diseases. One of these substances was tested in a mouse retinal angiogenesis model and found to inhibit angiogenesis at a locally administered dose of 500 pmol. Comparison of cell migration data for this and two other synthetic compounds with published data on cortistatin A indicate that they inhibit vascular endothelial growth factor-induced cell migration of human umbilical vein endothelial cells more strongly than cortistatin A.

  DOI：

  10.1021/ja902601e

文献信息

• [EN] ANGIOGENESIS INHIBITORS<br/>[FR] INHIBITEURS DE L'ANGIOGENÈSE
  申请人：HARVARD COLLEGE

  公开号：WO2010123545A3

  公开（公告）日：2011-02-03