[(3S)-oxolan-3-yl] N-[1-[(5-chloro-2-phenylmethoxyphenyl)methyl]-5-methylpyrazol-3-yl]carbamate | 913567-04-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: [(3S)-oxolan-3-yl] N-[1-[(5-chloro-2-phenylmethoxyphenyl)methyl]-5-methylpyrazol-3-yl]carbamate
• CAS: 913567-04-1
• 化学式: C₂₃H₂₄ClN₃O₄
• 分子量: 441.914
• InChiKey: JANYWEJCJDVQDY-FQEVSTJZSA-N

物化性质

• 沸点：
  580.1±50.0 °C(predicted)
• 密度：
  1.32±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  31
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  74.6
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  1-({5-chloro-2-[(phenylmethyl)oxy]phenyl}methyl)-5-methyl-1H-pyrazol-3-amine 、 (S)-tetrahydrofuran-3-yl carbonochloridate 在 吡啶 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 生成 [(3S)-oxolan-3-yl] N-[1-[(5-chloro-2-phenylmethoxyphenyl)methyl]-5-methylpyrazol-3-yl]carbamate
  参考文献：
  名称：

  Non-acidic pyrazole EP1 receptor antagonists with in vivo analgesic efficacy

  摘要：

  Replacement of the carboxylic acid group in a series of previously described methylene-linked pyrazole EP1 receptor antagonists led to the discovery of amide, reversed amide and carbamate derivatives. Two compounds, 10a and 10b, were identified as brain penetrant compounds and both demonstrated efficacy in the CFA model of inflammatory pain. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.04.018

文献信息

• Non-acidic pyrazole EP1 receptor antagonists with in vivo analgesic efficacy
  作者：Adrian Hall、Andy Billinton、Susan H. Brown、Nicholas M. Clayton、Anita Chowdhury、Gerard M.P. Giblin、Paul Goldsmith、Thomas G. Hayhow、David N. Hurst、Ian R. Kilford、Alan Naylor、Barry Passingham、Lisa Winyard

  DOI：10.1016/j.bmcl.2008.04.018

  日期：2008.6

  Replacement of the carboxylic acid group in a series of previously described methylene-linked pyrazole EP1 receptor antagonists led to the discovery of amide, reversed amide and carbamate derivatives. Two compounds, 10a and 10b, were identified as brain penetrant compounds and both demonstrated efficacy in the CFA model of inflammatory pain. (C) 2008 Elsevier Ltd. All rights reserved.