8-chloro-1H-benzo[4,5]furo[3,2-d]pyrimidine-2,4-dione | 160198-92-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并呋喃
• 英文名称: 8-chloro-1H-benzo[4,5]furo[3,2-d]pyrimidine-2,4-dione
• 英文别名: 8-chloro-1H-[1]benzofuro[3,2-d]pyrimidine-2,4-dione
• CAS: 160198-92-5
• 化学式: C₁₀H₅ClN₂O₃
• 分子量: 236.614
• InChiKey: NEYIAMUJWSMCBU-UHFFFAOYSA-N

物化性质

• 密度：
  1.575±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  16
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  71.3
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  8-chloro-1H-benzo[4,5]furo[3,2-d]pyrimidine-2,4-dione 在 N,N-二乙基苯胺 、 三氯氧磷 作用下， 以 乙醇 、 三氯乙烷 为溶剂， 生成 4-((1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl)-2,8-dichlorobenzofuro[3,2-d]pyrimidine
  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：

  (4-chloro-2-cyano-phenoxy)-acetic acid ethyl ester 在 potassium carbonate 、 肼 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 、 苯 为溶剂， 生成 8-chloro-1H-benzo[4,5]furo[3,2-d]pyrimidine-2,4-dione
  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

• 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。
• BENZOFURO-AND BENZOTHIENOPYRYIMIDINE MODULATORS OF THE HISTAMINE H4 RECEPTOR
  申请人：Janssen Pharmaceutica NV

  公开号：EP2040549A2

  公开（公告）日：2009-04-01
• ORGANIC COMPOUND, COMPOSITION, ORGANIC OPTOELECTRONIC DEVICE, AND DISPLAY DEVICE
  申请人：SAMSUNG SDI CO., LTD.

  公开号：US20200161564A1

  公开（公告）日：2020-05-21

  Disclosed are an organic compound represented by Chemical Formula 1, a composition including the same, an organic optoelectronic device, and a display device. In Chemical Formula 1, X 1 , Ar 1 , Ar 2 , L 1 to L 3 , R 1 , R 2 , CBZ, and n are the same as described in the specification.
• US7576092B2
  申请人：——

  公开号：US7576092B2

  公开（公告）日：2009-08-18
• US8030321B2
  申请人：——

  公开号：US8030321B2

  公开（公告）日：2011-10-04