(2-Chlorothieno[3,2-d]pyrimidin-4-yl)-(5-methylthiophen-2-yl)methanone | 1197192-79-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩并嘧啶酮衍生物
• 英文名称: (2-Chlorothieno[3,2-d]pyrimidin-4-yl)-(5-methylthiophen-2-yl)methanone
• 英文别名: (2-chlorothieno[3,2-d]pyrimidin-4-yl)-(5-methylthiophen-2-yl)methanone
• CAS: 1197192-79-2
• 化学式: C₁₂H₇ClN₂OS₂
• 分子量: 294.785
• InChiKey: UCCQZUQPKJHEOJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  99.3
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (2-Chlorothieno[3,2-d]pyrimidin-4-yl)-(5-methylthiophen-2-yl)methanone 在 氨 作用下， 以 乙醇 为溶剂， 反应 18.0h， 生成 (2-Aminothieno[3,2-d]pyrimidin-4-yl)(5-methylthiophen-2-yl)methanone
  参考文献：
  名称：

  Discovery and optimization of potent and selective functional antagonists of the human adenosine A2B receptor

  摘要：

  We herein report the discovery of a novel class of antagonists of the human adenosine A2B receptor. This low molecular weight scaffold has been optimized to offer derivatives with potential utility for the alleviation of conditions associated with this receptor subtype, such as nociception, diabetes, asthma and COPD. Furthermore, preliminary pharmacokinetic analysis has revealed compounds with profiles suitable for either inhaled or systemic routes of administration. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.08.040
• 作为产物：
  描述：

  5-甲基-2-噻吩甲醛 、 2,4-二氯噻吩并[3,2-D]嘧啶 在 1H-咪唑正离子,1,1-二甲基-,碘化 、 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 反应 5.0h， 生成 (2-Chlorothieno[3,2-d]pyrimidin-4-yl)-(5-methylthiophen-2-yl)methanone
  参考文献：
  名称：

  Discovery and optimization of potent and selective functional antagonists of the human adenosine A2B receptor

  摘要：

  We herein report the discovery of a novel class of antagonists of the human adenosine A2B receptor. This low molecular weight scaffold has been optimized to offer derivatives with potential utility for the alleviation of conditions associated with this receptor subtype, such as nociception, diabetes, asthma and COPD. Furthermore, preliminary pharmacokinetic analysis has revealed compounds with profiles suitable for either inhaled or systemic routes of administration. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.08.040