Cyclopropyl-(3,4-dibromothiophen-2-yl)methanone | 1381776-36-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: Cyclopropyl-(3,4-dibromothiophen-2-yl)methanone
• 英文别名: cyclopropyl-(3,4-dibromothiophen-2-yl)methanone
• CAS: 1381776-36-8
• 化学式: C₈H₆Br₂OS
• 分子量: 310.009
• InChiKey: BPNDAXMUAMXJSP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  45.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  Cyclopropyl-(3,4-dibromothiophen-2-yl)methanone 在 18-冠醚-6 、 水 、 potassium carbonate 、 lithium hydroxide 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 生成 3-Bromo-6-cyclopropylthieno[3,2-b]thiophene-5-carboxylic acid
  参考文献：
  名称：

  Thieno[3,2-b]thiophene-2-carboxylic acid derivatives as GPR35 agonists

  摘要：

  The optimization of a series of thieno[3,2-b]thiophene-2-carboxylic acid derivatives for agonist activity against the GPR35 is reported. Compounds were optimized to achieve beta-arrestin-biased agonism for developing probe molecules that may be useful for elucidating the biology and physiology of GPR35. Compound 13 was identified to the most potent GPR35 agonist, and compounds 30 and 36 exhibited the highest efficacy to cause beta-arrestin translocation. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.04.057
• 作为产物：
  描述：

  cyclopropyl(3,4-dibromothiophen-2-yl)methanol 在 pyridinium chlorochromate 作用下， 以 二氯甲烷 为溶剂， 以83.3%的产率得到Cyclopropyl-(3,4-dibromothiophen-2-yl)methanone
  参考文献：
  名称：

  Thieno[3,2-b]thiophene-2-carboxylic acid derivatives as GPR35 agonists

  摘要：

  The optimization of a series of thieno[3,2-b]thiophene-2-carboxylic acid derivatives for agonist activity against the GPR35 is reported. Compounds were optimized to achieve beta-arrestin-biased agonism for developing probe molecules that may be useful for elucidating the biology and physiology of GPR35. Compound 13 was identified to the most potent GPR35 agonist, and compounds 30 and 36 exhibited the highest efficacy to cause beta-arrestin translocation. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.04.057

文献信息

• Thieno[3,2-b]thiophene-2-carboxylic acid derivatives as GPR35 agonists
  作者：Huayun Deng、Jieyu Hu、Haibei Hu、Mingqian He、Ye Fang

  DOI：10.1016/j.bmcl.2012.04.057

  日期：2012.6

  The optimization of a series of thieno[3,2-b]thiophene-2-carboxylic acid derivatives for agonist activity against the GPR35 is reported. Compounds were optimized to achieve beta-arrestin-biased agonism for developing probe molecules that may be useful for elucidating the biology and physiology of GPR35. Compound 13 was identified to the most potent GPR35 agonist, and compounds 30 and 36 exhibited the highest efficacy to cause beta-arrestin translocation. (C) 2012 Elsevier Ltd. All rights reserved.