5-cyclobutyl-1H-pyrazol-3-carboxylic acid | 957129-37-2

• 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-cyclobutyl-1H-pyrazol-3-carboxylic acid
• 英文别名: 5-cyclobutyl-1H-pyrazole-3-carboxylic acid
• CAS: 957129-37-2
• 化学式: C₈H₁₀N₂O₂
• 分子量: 166.18
• InChiKey: VKUSZPYMCIJUJR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  66
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  环丁基甲基酮 在 肼 作用下， 以 乙醇 为溶剂， 生成 5-cyclobutyl-1H-pyrazol-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

文献信息

• PDE9 inhibitors for treating type 2 diabetes,metabolic syndrome, and cardiovascular disease
  申请人：Pfizer Inc.

  公开号：US20040220186A1

  公开（公告）日：2004-11-04

  The invention provides compounds of Formula (I) 1 the stereoisomers and prodrugs thereof, and the pharmaceutically acceptable salts of the compounds, stereoisomers, and prodrugs, wherein A, P, J, x, and R 10 are as defined herein; pharmaceutical compositions thereof; and methods of using the pharmaceutical compositions for the treatment of diseases, including, diabetes, including type 1 and type 2 diabetes, hyperglycemia, dyslipidemia, impaired glucose tolerance, metabolic syndrome, and/or cardiovascular disease.

  该发明提供了公式（I）1的化合物及其立体异构体和前药，以及该化合物、立体异构体和前药的药学上可接受的盐，其中A、P、J、x和R10如本文所定义；其制药组合物；以及使用该制药组合物治疗疾病的方法，包括糖尿病，包括1型和2型糖尿病，高血糖，血脂异常，葡萄糖耐量受损，代谢综合征和/或心血管疾病。
• Fluorinated pyrazole acids are agonists of the high affinity niacin receptor GPR109a
  作者：Philip J. Skinner、Martin C. Cherrier、Peter J. Webb、Young-Jun Shin、Tawfik Gharbaoui、Andrew Lindstrom、Vu Hong、Susan Y. Tamura、Huong T. Dang、Cameron C. Pride、Ruoping Chen、Jeremy G. Richman、Daniel T. Connolly、Graeme Semple

  DOI：10.1016/j.bmcl.2007.07.101

  日期：2007.10

  A series of 5-alkyl pyrazole-3-carboxylic acids were prepared and found to act as potent and selective agonists of the human GPCR, GPR109a, the high affinity nicotinic acid receptor. No activity was observed at the highly homologous low affinity niacin receptor, GPR109b. A further series of 4-fluoro-5-alkyl pyrazole-3-carboxylic acids were shown to display similar potency. One example from the series was shown to have improved properties in vivo compared to niacin. (c) 2007 Elsevier Ltd. All rights reserved.