3-氨基-5-氯苯并呋喃-2-羧酸乙酯 | 329210-07-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并呋喃
• 中文名称: 3-氨基-5-氯苯并呋喃-2-羧酸乙酯
• 中文别名: 乙基3-氨基-5-氯-1-苯并呋喃-2-羧酸
• 英文名称: 3-amino-5-chloro-benzofuran-2-carboxylic acid ethyl ester
• 英文别名: ethyl 3-amino-5-chlorobenzofuran-2-carboxylate；ethyl 3-amino-5-chloro-1-benzofuran-2-carboxylate
• CAS: 329210-07-3
• 化学式: C₁₁H₁₀ClNO₃
• mdl: MFCD00454352
• 分子量: 239.658
• InChiKey: VKKDUUXDTANQAJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  65.5
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 海关编码：
  2932999099

反应信息

• 作为反应物：
  描述：

  3-氨基-5-氯苯并呋喃-2-羧酸乙酯 在 N,N-二乙基苯胺 、 肼 、 三氯氧磷 作用下， 以 乙醇 、 三氯乙烷 、 苯 为溶剂， 生成
  参考文献：
  名称：

  Tricyclic aminopyrimidine histamine H4 receptor antagonists

  摘要：

  This report discloses the development of a series of tricyclic histamine H-4 receptor antagonists. Starting with a low nanomolar benzofuranopyrimidine HTS hit devoid of pharmaceutically acceptable properties, we navigated issues with metabolism and solubility to furnish a potent, stable and water soluble tricyclic histamine H-4 receptor antagonist with desirable physiochemical parameters which demonstrated efficacy a mouse ova model. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.08.014
• 作为产物：
  描述：

  5-氯-2-羟基苯甲腈 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 、 丙酮 为溶剂， 生成 3-氨基-5-氯苯并呋喃-2-羧酸乙酯
  参考文献：
  名称：

  Tricyclic aminopyrimidine histamine H4 receptor antagonists

  摘要：

  This report discloses the development of a series of tricyclic histamine H-4 receptor antagonists. Starting with a low nanomolar benzofuranopyrimidine HTS hit devoid of pharmaceutically acceptable properties, we navigated issues with metabolism and solubility to furnish a potent, stable and water soluble tricyclic histamine H-4 receptor antagonist with desirable physiochemical parameters which demonstrated efficacy a mouse ova model. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.08.014

文献信息

• INHIBITORS OF HIV REPLICATION
  申请人：STURINO Claudio

  公开号：US20100261714A1

  公开（公告）日：2010-10-14

  Compounds of formula (I): wherein R 1 , R 2 , A 1 , A 2 , A 3 , A 4 , X and Y are as defined herein, are useful as inhibitors of HIV replication.

  式(I)的化合物： 其中R1、R2、A1、A2、A3、A4、X和Y如本文所定义，可用作HIV复制抑制剂。
• [EN] BENZOFUROPYRIMIDINONES AS PROTEIN KINASE INHIBITORS<br/>[FR] BENZOFUROPYRIMIDINONES EN TANT QU'INHIBITEURS DE PROTÉINE KINASE
  申请人：EXELIXIS INC

  公开号：WO2009086264A1

  公开（公告）日：2009-07-09

  A compound according to formula I: or a pharmaceutically acceptable salt thereof; wherein R1, R2, R3a, R3b, R3c and R3d are as defined in the specification, pharmaceutical compositions thereof, and methods of use thereof.

  根据公式I的化合物：或其药用可接受盐；其中R1、R2、R3a、R3b、R3c和R3d如规范中所定义，以及其药物组合物和使用方法。
• Benzofuro- and benzothienopyrimidine modulators of the histamine H4 receptor
  申请人：Chavez Frank

  公开号：US20080015200A1

  公开（公告）日：2008-01-17

  Benzofuro- and benzothienopyrimidine compounds are described, which are useful as H 4 receptor modulators. Such compounds may be used in pharmaceutical compositions and methods for the treatment of disease states, disorders, and conditions mediated by H 4 receptor activity, such as allergy, asthma, autoimmune diseases, and pruritis.

  描述了苯并呋喃和苯并噻吩嘧啶化合物，这些化合物可用作H4受体调节剂。这类化合物可用于制备药物组合物，并用于治疗由H4受体活性介导的疾病状态、紊乱和病况，如过敏、哮喘、自身免疫疾病和瘙痒症。
• Pyrimidine compounds for the treatment of inflammatory disorders
  申请人：Cellzome (UK) Ltd.

  公开号：EP1767537A1

  公开（公告）日：2007-03-28

  The present invention relates to novel pyrimidine compounds, for the modulation of the histamine H4 receptor and the treatment or prevention of conditions mediated by the histamine H4 receptor. The invention also relates to the preparation of such compounds.

  本发明涉及新型嘧啶化合物，用于调节组胺H4受体并治疗或预防由组胺H4受体介导的疾病。该发明还涉及制备这类化合物的方法。
• Pyrimidine compounds as histamine modulators
  申请人：Argenta Discovery Limited

  公开号：EP1776982A1

  公开（公告）日：2007-04-25

  The present invention relates to novel pyrimidine compounds, for the modulation of the histamine H4 receptor and the treatment or prevention of conditions mediated by the histamine H4 receptor. The invention also relates to the preparation of such compounds.

  本发明涉及新型嘧啶化合物，用于调节组胺H4受体并治疗或预防由组胺H4受体介导的疾病。该发明还涉及制备这类化合物的方法。