pyridin-2-ylmethyl N-[1-[(5-chloro-2-phenylmethoxyphenyl)methyl]-5-methylpyrazol-3-yl]carbamate | 913566-99-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: pyridin-2-ylmethyl N-[1-[(5-chloro-2-phenylmethoxyphenyl)methyl]-5-methylpyrazol-3-yl]carbamate
• CAS: 913566-99-1
• 化学式: C₂₅H₂₃ClN₄O₃
• 分子量: 462.936
• InChiKey: VXHFUPQHLAAREW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  33
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  78.3
• 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 、 (Pyridin-2-yl)methyl chloroformate 在 吡啶 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 生成 pyridin-2-ylmethyl 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

• PYRAZOLE COMPOUNDS AS PROSTAGLANDIN RECEPTORS LIGANDS
  申请人：Conway Elizabeth Ann

  公开号：US20090239845A1

  公开（公告）日：2009-09-24

  Compounds of formula (I) or a pharmaceutically acceptable derivative thereof: wherein Z, R 1 , R 2a , R 2b , R 10 , R 11 and R x are as defined in the specification, a process for the preparation of such compounds, pharmaceutical compositions comprising such compounds and the use of such compounds in medicine.

  公式（I）的化合物或其药学上可接受的衍生物：其中Z、R1、R2a、R2b、R10、R11和Rx的定义如规范所述，制备这种化合物的过程，包含这种化合物的药物组合物以及这种化合物在医学上的用途。
• 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.