4-Bromo-3-(chloromethyl)benzoic acid | 1379371-50-2

• 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: 4-Bromo-3-(chloromethyl)benzoic acid
• CAS: 1379371-50-2
• 化学式: C₈H₆BrClO₂
• 分子量: 249.491
• InChiKey: ULPDFODFTCUHDR-UHFFFAOYSA-N

物化性质

• 沸点：
  370.5±37.0 °C(Predicted)
• 密度：
  1.710±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-Bromo-3-(chloromethyl)benzoic acid 、 (7S)-7-氨基-1,2,3-三甲氧基-10-甲硫基-6,7-二氢-5H-苯并[g]庚搭烯-9-酮 在 三乙胺 作用下， 以 四氢呋喃 为溶剂， 生成 (S)-4-bromo-3-(chloromethyl)-N-(1,2,3-trimethoxy-10-(methylthio)-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)benzamide
  参考文献：
  名称：

  Design, synthesis and identification of novel colchicine-derived immunosuppressant

  摘要：

  Synthesis and biological evaluation of various colchicine analogues through the mixed-lymphocyte reaction (MLR), lymphoproliferation, and inhibitory effects on the inflammatory genes are described. In addition, a new series of immunosuppressive agents developed on the structural basis of colchicine, as well as their structure-activity relationships is reported. The most potent analogue 20a exhibited an excellent immunosuppressive activity on in vivo skin-allograft model, which is comparable to that of cyclosporin A. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.05.054
• 作为产物：
  描述：

  4-溴-3-(羟甲基)苯甲酸 在 氯化亚砜 作用下， 以 苯 为溶剂， 生成 4-Bromo-3-(chloromethyl)benzoic acid
  参考文献：
  名称：

  Design, synthesis and identification of novel colchicine-derived immunosuppressant

  摘要：

  Synthesis and biological evaluation of various colchicine analogues through the mixed-lymphocyte reaction (MLR), lymphoproliferation, and inhibitory effects on the inflammatory genes are described. In addition, a new series of immunosuppressive agents developed on the structural basis of colchicine, as well as their structure-activity relationships is reported. The most potent analogue 20a exhibited an excellent immunosuppressive activity on in vivo skin-allograft model, which is comparable to that of cyclosporin A. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.05.054

文献信息

• Amide compounds as ion channel ligands and uses thereof
  申请人：Kelly G. Michael

  公开号：US20050192293A1

  公开（公告）日：2005-09-01

  Compounds are disclosed that have a formula represented by the following: The compounds may be prepared as pharmaceutical compositions, and may be used for the prevention and treatment of a variety of conditions in mammals including humans, including by way of non-limiting example, pain, inflammation, traumatic injury, and others.

  揭示了具有以下公式代表的化合物：这些化合物可以制备为药物组成物，并可用于哺乳动物，包括人类的预防和治疗各种病症，例如疼痛、炎症、创伤性损伤等，但不限于此。
• AMIDE COMPOUNDS AS ION CHANNEL LIGANDS AND USES THEREOF
  申请人：Renovis, Inc.

  公开号：EP1685109A2

  公开（公告）日：2006-08-02
• US7338950B2
  申请人：——

  公开号：US7338950B2

  公开（公告）日：2008-03-04
• [EN] AMIDE COMPOUNDS AS ION CHANNEL LIGANDS AND USES THEREOF<br/>[FR] COMPOSES D'AMIDES UTILISES EN TANT QUE LIGANDS DE CANAUX IONIQUES ET UTILISATIONS CORRESPONDANTES
  申请人：RENOVIS INC

  公开号：WO2005032493A2

  公开（公告）日：2005-04-14

  Compounds are disclosed that have a formula represented by the following: The compounds may be prepared as pharmaceutical compositions, and may be used for the prevention and treatment of a variety of conditions in mammals including humans, including by way of non-limiting example, pain, inflammation, traumatic injury, and others.
• [EN] AMIDE COMPOUNDS AND ION CHANNEL LIGANDS AND USES THEREOF<br/>[FR] COMPOSES AMIDES ET LIGANDS DE CANAUX IONIQUES, ET LEURS UTILISATIONS
  申请人：RENOVIS INC

  公开号：WO2005034870A2

  公开（公告）日：2005-04-21

  Compounds are disclosed that have a formula represented by the following: The compounds may be prepared as pharmaceutical compositions, and may be used for the prevention and treatment of a variety of conditions in mammals including humans, including by way of non-limiting example, pain, inflammation, traumatic injury, and others.