2-amino-4,8-dichloro-benzo[4,5]furo[3,2-d]pyrimidine | 945975-19-9

• 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: 2-amino-4,8-dichloro-benzo[4,5]furo[3,2-d]pyrimidine
• 英文别名: 4,8-Dichloro-[1]benzofuro[3,2-d]pyrimidin-2-amine
• CAS: 945975-19-9
• 化学式: C₁₀H₅Cl₂N₃O
• 分子量: 254.075
• InChiKey: KYEIZQOHPZWFER-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 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：
  64.9
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-amino-4,8-dichloro-benzo[4,5]furo[3,2-d]pyrimidine 、 (S)-3-N-BOC-N-甲基氨基吡咯烷 在 C₁₁H₁₆NPol 作用下， 以 乙醇 为溶剂， 反应 0.08h， 生成 tert-butyl [(S)-1-(2-amino-8-chloro-benzo[4,5]furo[3,2-d]pyrimidin-4-yl)-pyrrolidin-3-yl]-N-methyl-carbamate
  参考文献：
  名称：

  WO2007/90852

  摘要：

  公开号：
• 作为产物：
  描述：

  2-amino-8-chloro-3H-benzo[4,5]furo[3,2-d]pyrimidin-4-one 在 四甲基氯化铵 、 三氯氧磷 作用下， 以 乙腈 为溶剂， 反应 3.17h， 以87.7%的产率得到2-amino-4,8-dichloro-benzo[4,5]furo[3,2-d]pyrimidine
  参考文献：
  名称：

  WO2008/62013

  摘要：

  公开号：

文献信息

• Amino pyrimidine compounds for the treatment of inflammatory disorders
  申请人：Cellzome (UK) Ltd.

  公开号：EP1829879A1

  公开（公告）日：2007-09-05

  The present invention relates to novel amino pyrimidine compounds having the general formula (I) 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.

  本发明涉及一种具有一般式（I）的新型氨基嘧啶化合物，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种化合物的方法。
• Preparation of 4-substituted 2-amino-benzo[4,5]furo[3,2-d]pyrimidine derivatives
  申请人：Cellzome (UK) Ltd.

  公开号：EP1925619A1

  公开（公告）日：2008-05-28

  The present invention is directed to a process for the preparation of a compound of formula (I) wherein R1, R2 and X have the meaning as indicated in the description and claims. Said compounds are useful as key intermediates for the preparation of the related pharmaceutically active compounds or as active compounds.

  本发明涉及一种制备式（I）化合物的方法，其中R1，R2和X的含义如说明书和权利要求所示。所述化合物可用作相关药物活性化合物的关键中间体或活性化合物的制备。
• Enantiomers of Amino Pyrimidine compounds for the treatment of inflammatory disorders
  申请人：Cellzome (UK) Ltd.

  公开号：EP1860108A1

  公开（公告）日：2007-11-28

  The present invention relates to novel enantiomers of amino 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.

  本发明涉及用于调节组胺 H4 受体和治疗或预防由组胺 H4 受体介导的疾病的新型氨基嘧啶化合物对映体。本发明还涉及此类化合物的制备。
• Azetidine amino pyrimidine compounds for the treatment of inflammatory disorders
  申请人：Cellzome (UK) Ltd.

  公开号：EP1860109A1

  公开（公告）日：2007-11-28

  The present invention relates to novel azetidine amino pyrimidine compounds of formula (I) 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.

  本发明涉及新型的式(I)氮杂环丁氨基嘧啶化合物，用于调节组胺 H4 受体和治疗或预防由组胺 H4 受体介导的疾病。本发明还涉及此类化合物的制备。
• Identification and hit-to-lead exploration of a novel series of histamine H4 receptor inverse agonists
  作者：Sue Cramp、Hazel J. Dyke、Christopher Higgs、David E. Clark、Matthew Gill、Pascal Savy、Neil Jennings、Steve Price、Peter M. Lockey、Dennis Norman、Soraya Porres、Francis Wilson、Alison Jones、Nigel Ramsden、Raffaella Mangano、Dan Leggate、Marie Andersson、Richard Hale

  DOI：10.1016/j.bmcl.2010.02.097

  日期：2010.4

  The identification and hit-to-lead exploration of a novel, potent and selective series of histamine H(4) receptor inverse agonists is described. The initial hit, 3A (IC(50) 19 nM) was identified by means of a ligand-based virtual screening approach. Subsequent medicinal chemistry exploration yielded 18I which possessed increased potency (R-enantiomer IC(50) 1 nM) as well as enhanced microsomal stability. (C) 2010 Elsevier Ltd. All rights reserved.