7-(2-trimethylsilyl)ethoxymethyl-8-(4-{[3-(4-chlorophenyl)(1,2,4-oxadiazol-5-yl)]methoxy}phenyl)-1,3-dipropyl-1,3,7-trihydropurine-2,6-dione | 531506-44-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并嘧啶类
• 英文名称: 7-(2-trimethylsilyl)ethoxymethyl-8-(4-{[3-(4-chlorophenyl)(1,2,4-oxadiazol-5-yl)]methoxy}phenyl)-1,3-dipropyl-1,3,7-trihydropurine-2,6-dione
• 英文别名: 8-[4-[[3-(4-Chlorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]-1,3-dipropyl-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione
• CAS: 531506-44-2
• 化学式: C₃₂H₃₉ClN₆O₅Si
• 分子量: 651.237
• InChiKey: ORQMDJSYLFLPSN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.44
• 重原子数：
  45
• 可旋转键数：
  14
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  116
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  7-(2-trimethylsilyl)ethoxymethyl-8-(4-{[3-(4-chlorophenyl)(1,2,4-oxadiazol-5-yl)]methoxy}phenyl)-1,3-dipropyl-1,3,7-trihydropurine-2,6-dione 在 盐酸 作用下， 以 乙醇 为溶剂， 反应 2.0h， 生成 8-(4-{[3-(4-chlorophenyl)(1,2,4-oxadiazol-5-yl)]methoxy} phenyl)-1,3-dipropyl-1,3,7-trihydropurine-2,6-dione
  参考文献：
  名称：

  A2B adenosine receptor antagonists

  摘要：

  公开的是新型化合物，它们是A2B腺苷受体拮抗剂，可用于治疗包括哮喘和腹泻在内的各种疾病状态。

  公开号：

  US20030229106A1
• 作为产物：
  描述：

  7-[(2-trimethylsilyl)ethoxymethyl]-8-[4-(phenylmethoxy)phenyl]-1,3-dipropyl-1,3,7-trihydropurine-2,6-dione 在 palladium dihydroxide 氢气 、 potassium carbonate 作用下， 以 甲醇 、 丙酮 为溶剂， 23.0~56.0 ℃ 、506.62 kPa 条件下， 反应 16.0h， 生成 7-(2-trimethylsilyl)ethoxymethyl-8-(4-{[3-(4-chlorophenyl)(1,2,4-oxadiazol-5-yl)]methoxy}phenyl)-1,3-dipropyl-1,3,7-trihydropurine-2,6-dione
  参考文献：
  名称：

  The discovery of a selective, high affinity A2B adenosine receptor antagonist for the potential treatment of asthma

  摘要：

  Adenosine has been suggested to play a role in asthma, possibly via activation of A(2B) adenosine receptors on mast cells and other pulmonary cells. We describe our initial efforts to discover a xanthine based selective A(2B) AdoR antagonist that resulted in the discovery of CVT-5440, a high affinity A(2B) AdoR antagonist with good selectivity (A(2B) AdoR K-i = 50 nM, selectivity A(1) > 200: A(2A) > 200: A(3) > 167). (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.11.044

文献信息

• [EN] XANTHINE DERIVATIVES AS A2B ADENOSINE RECEPTOR ANTAGONISTS<br/>[FR] DERIVES DE XANTHINE SERVANT D'ANTAGONISTES DU RECEPTEUR DE L'ADENOSINE A2B
  申请人：CV THERAPEUTICS INC

  公开号：WO2004106337A1

  公开（公告）日：2004-12-09

  Disclosed are compounds that are A2B adenosine receptor antagonists, useful for treating various disease states, including asthma and diarrhea.

  揭示了一种A2B腺苷受体拮抗剂化合物，可用于治疗包括哮喘和腹泻在内的各种疾病状态。
• A2B adenosine receptor antagonists
  申请人：Kalla Rao

  公开号：US20050101778A1

  公开（公告）日：2005-05-12

  Disclosed are novel A 2B adenosine receptor antagonists having the structure of Formula I or Formula II: The compounds are particularly useful for treating asthma, inflammatory gastrointestinal tract disorders, cardiovascular diseases, neurological disorders, and diseases related to undesirable angiogenesis.

  揭示了具有Formula I或Formula II结构的新型A2B腺苷受体拮抗剂：这些化合物特别适用于治疗哮喘、炎症性胃肠道疾病、心血管疾病、神经系统疾病以及与不良血管生成相关的疾病。
• A2B Adenosine receptor antagonists
  申请人：Kalla Rao

  公开号：US20050261316A1

  公开（公告）日：2005-11-24

  Disclosed are novel compounds that are A 2B adenosine receptor antagonists, useful for treating various disease states, including asthma and diarrhea.

  揭示了一种新颖的化合物，它们是A2B腺苷受体拮抗剂，可用于治疗包括哮喘和腹泻在内的各种疾病状态。
• The discovery of a selective, high affinity A2B adenosine receptor antagonist for the potential treatment of asthma
  作者：Jeff Zablocki、Rao Kalla、Thao Perry、Venkata Palle、Vaibhav Varkhedkar、Dengming Xiao、Anthony Piscopio、Tenning Maa、Art Gimbel、Jia Hao、Nancy Chu、Kwan Leung、Dewan Zeng

  DOI：10.1016/j.bmcl.2004.11.044

  日期：2005.2

  Adenosine has been suggested to play a role in asthma, possibly via activation of A(2B) adenosine receptors on mast cells and other pulmonary cells. We describe our initial efforts to discover a xanthine based selective A(2B) AdoR antagonist that resulted in the discovery of CVT-5440, a high affinity A(2B) AdoR antagonist with good selectivity (A(2B) AdoR K-i = 50 nM, selectivity A(1) > 200: A(2A) > 200: A(3) > 167). (C) 2004 Elsevier Ltd. All rights reserved.