phenyl 1-(2-fluorophenyl)-1H-pyrazol-3-ylcarbamate | 865809-49-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: phenyl 1-(2-fluorophenyl)-1H-pyrazol-3-ylcarbamate
• 英文别名: phenyl N-[1-(2-fluorophenyl)pyrazol-3-yl]carbamate
• CAS: 865809-49-0
• 化学式: C₁₆H₁₂FN₃O₂
• 分子量: 297.289
• InChiKey: OIIJYBDFXYSYGD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  56.2
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  、 phenyl 1-(2-fluorophenyl)-1H-pyrazol-3-ylcarbamate 以 二甲基亚砜 为溶剂， 生成 3-[1-(2-fluorophenyl)pyrazol-3-yl]-1-methyl-1-(1-oxospiro[4H-pyrano[4,3-c]pyridine-3,4'-cyclohexane]-1'-yl)urea
  参考文献：
  名称：

  Discovery and evaluation of spirocyclic derivatives as antagonists of the neuropeptide Y5 receptor

  摘要：

  A novel series of spirocyclic derivatives was synthesized and evaluated as NPY Y5R antagonists for the treatment of obesity. Cis and trans analogs 7a and 8a were equipotent in a Y5R binding assay (K-i's <= 1 nM) and displayed good stability in human and rat liver microsome preparations. Compound 7a failed to demonstrate weight loss activity in a diet-induced obese (DIO) rat model at unbound drug levels in the brain that exceeded the Y5R K-i value by 25-fold over a 24-h time-period. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.02.098

文献信息

• Discovery and evaluation of spirocyclic derivatives as antagonists of the neuropeptide Y5 receptor
  作者：Michael Fichtner、Eunsun Lee、Elizabeth Tomlinson、Dennis Scott、Peter Cornelius、Terrell A. Patterson、Philip A. Carpino

  DOI：10.1016/j.bmcl.2012.02.098

  日期：2012.4

  A novel series of spirocyclic derivatives was synthesized and evaluated as NPY Y5R antagonists for the treatment of obesity. Cis and trans analogs 7a and 8a were equipotent in a Y5R binding assay (K-i's <= 1 nM) and displayed good stability in human and rat liver microsome preparations. Compound 7a failed to demonstrate weight loss activity in a diet-induced obese (DIO) rat model at unbound drug levels in the brain that exceeded the Y5R K-i value by 25-fold over a 24-h time-period. (C) 2012 Elsevier Ltd. All rights reserved.