5,6-dihydro-2H-thieno[3,2-c]pyrazole-3-carboxylic acid | 949034-66-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 5,6-dihydro-2H-thieno[3,2-c]pyrazole-3-carboxylic acid
• 英文别名: 5,6-dihydro-1H-thieno[3,2-c]pyrazole-3-carboxylic acid
• CAS: 949034-66-6
• 化学式: C₆H₆N₂O₂S
• 分子量: 170.192
• InChiKey: ZXMXWYOGVGJJOI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  91.3
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  生成 5,6-dihydro-2H-thieno[3,2-c]pyrazole-3-carboxylic acid
  参考文献：
  名称：

  Agonist lead identification for the high affinity niacin receptor GPR109a

  摘要：

  A strategy for lead identification of new agonists of GPR109a, starting from known compounds shown to activate the receptor, is described. Early compound triage led to the formulation of a binding hypothesis and eventually to our focus on a series of pyrazole acid derivatives. Further elaboration of these compounds provided a series of 5,5-fused pyrazoles to be used as lead compounds for further optimization. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.06.028