3-氨基-5-氯苯并呋喃-2-羧酰胺 | 294878-00-5

• 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-羧酰胺
• 英文名称: 3-amino-5-chlorobenzofuran-2-carboxamide
• 英文别名: 3-Amino-5-chloro-1-benzofuran-2-carboxamide
• CAS: 294878-00-5
• 化学式: C₉H₇ClN₂O₂
• mdl: MFCD01235241
• 分子量: 210.62
• InChiKey: DSULSHPYVGTEJW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  82.2
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-氨基-5-氯苯并呋喃-2-羧酰胺 在 盐酸 、 三聚氯氰 、 sodium hydroxide 作用下， 以 1,4-二氧六环 、 乙醇 、 N,N-二甲基乙酰胺 为溶剂， 生成 8-氯-2-(2S)-2-吡咯烷基苯并呋喃并[3,2-d]嘧啶-4(3H)-酮
  参考文献：
  名称：

  Discovery of XL413, a potent and selective CDC7 inhibitor

  摘要：

  CDC7 is a serine/threonine kinase that has been shown to be required for the initiation and maintenance of DNA replication. Up-regulation of CDC7 is detected in multiple tumor cell lines, with inhibition of CDC7 resulting in cell cycle arrest. In this paper, we disclose the discovery of a potent and selective CDC7 inhibitor, XL413 (14), which was advanced into Phase 1 clinical trials. Starting from advanced lead 3, described in a preceding communication, we optimized the CDC7 potency and selectivity to demonstrate in vitro CDC7 dependent cell cycle arrest and in vivo tumor growth inhibition in a Colo-205 xenograft model. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.04.024
• 作为产物：
  描述：

  3-amino-5-chlorobenzofuran-2-carbonitrile 以 硫酸 、 水 、 甲苯 为溶剂， 生成 3-氨基-5-氯苯并呋喃-2-羧酰胺
  参考文献：
  名称：

  Pyrimidine compounds as histamine modulators

  摘要：

  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。

  公开号：

  EP1776982A1

文献信息

• [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。
• NOVEL BENZOFURAN DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND USES OF THESE
  申请人：Nakamura Tetsuya

  公开号：US20090239860A1

  公开（公告）日：2009-09-24

  The present invention provides compounds represented by general formula (I): or pharmaceutical acceptable salts thereof, wherein R 1 is hydrogen or lower alkyl; R 2 is lower alkyl, halo-lower alkyl, cycloalkyl, heterocycloalkyl, aryl, aralkyl, arylalkenyl, aryloxy-lower alkyl, heteroaryl, heteroaryl-lower alkyl, etc; R 3 , R 4 , R 5 and R 6 are each hydrogen, halogen, cyano, lower alkyl, halo-lower alkyl, lower alkoxy, hydroxy, aryl, etc; provided that at least one of R 3 , R 4 , R 5 and R 6 is other than hydrogen. Compound (I) of the present invention shows a potent adenosine A 2A receptor antagonistic activity, and are useful for treating or preventing a disease mediated by adenosine A 2A receptors such as motor function disorders, depression, anxiety disorders, cognitive function disorders, cerebral ischemia disorders, restless legs syndrome and the like.

  本发明提供了通式(I)所表示的化合物或其药物可接受的盐，其中R1是氢或低碳基；R2是低碳基，卤代低碳基，环烷基，杂环烷基，芳基，芳基烷基，芳基烯基，芳氧基-低碳基，杂芳基，杂芳基-低碳基等；R3、R4、R5和R6均为氢、卤素、氰基、低碳基、卤代低碳基、低碳氧基、羟基、芳基等；其中至少有一个R3、R4、R5和R6不是氢。本发明的化合物(I)表现出强大的腺苷A2A受体拮抗活性，并且可用于治疗或预防由腺苷A2A受体介导的疾病，例如运动功能障碍、抑郁症、焦虑症、认知功能障碍、脑缺血性疾病、不宁腿综合征等。
• Benzofuropyrimidinones
  申请人：Brown S. David

  公开号：US20090247559A1

  公开（公告）日：2009-10-01

  A compound according to formula I: or a pharmaceutically acceptable salt thereof; wherein R 1 , R 2 , R 3a , R 3b , R 3c and R 3d are as defined in the specification, pharmaceutical compositions thereof, and methods of use thereof.

  公式I所示的化合物或其药学上可接受的盐；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。
• Pyrimidine Compounds for the Treatment of Inflammatory Disorders
  申请人：Dyke Hazel

  公开号：US20080261946A1

  公开（公告）日：2008-10-23

  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。该发明还涉及这种化合物的制备。
• Pyrimidine Compounds as Histamine Modulators
  申请人：Harris Neil

  公开号：US20080269239A1

  公开（公告）日：2008-10-30

  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。本发明还涉及制备这些化合物的方法。