[(2R)-1-[3,5-di(propan-2-yl)pyrazol-1-yl]-3-methylbutan-2-yl] N-(4-ethoxyphenyl)carbamate | 1087160-33-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: [(2R)-1-[3,5-di(propan-2-yl)pyrazol-1-yl]-3-methylbutan-2-yl] N-(4-ethoxyphenyl)carbamate
• CAS: 1087160-33-5
• 化学式: C₂₃H₃₅N₃O₃
• 分子量: 401.549
• InChiKey: VOSRPUMHCHFZLS-QFIPXVFZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  29
• 可旋转键数：
  10
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  65.4
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  、 4-乙氧基苯基异氰酸酯 以 甲苯 为溶剂， 反应 16.0h， 生成 [(2R)-1-[3,5-di(propan-2-yl)pyrazol-1-yl]-3-methylbutan-2-yl] N-(4-ethoxyphenyl)carbamate
  参考文献：
  名称：

  Synthesis and activity of substituted carbamates as potentiators of the α4β2 nicotinic acetylcholine receptor

  摘要：

  The synthesis and structure-activity relationship of a series of carbamate potentiators of alpha 4 beta 2 nAChR is reported herein. These compounds were highly selective for alpha 4 beta 2 over other nAChR subtypes. In addition, compounds increased the response of alpha 4 beta 2 nAChRs to acetylcholine, as measured with patch-clamp electrophysiology. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.08.092

文献信息

• Synthesis and activity of substituted carbamates as potentiators of the α4β2 nicotinic acetylcholine receptor
  作者：Stephanie K. Springer、Katrina S. Woodin、Virginia Berry、Alessandro A. Boezio、Lei Cao、Kristie Clarkin、Jean-Christophe Harmange、Markus Hierl、Johannes Knop、Annika B. Malmberg、Jeff S. McDermott、Hung Q. Nguyen、Daniel Waldon、Brian K. Albrecht、Stefan I. McDonough

  DOI：10.1016/j.bmcl.2008.08.092

  日期：2008.10

  The synthesis and structure-activity relationship of a series of carbamate potentiators of alpha 4 beta 2 nAChR is reported herein. These compounds were highly selective for alpha 4 beta 2 over other nAChR subtypes. In addition, compounds increased the response of alpha 4 beta 2 nAChRs to acetylcholine, as measured with patch-clamp electrophysiology. (C) 2008 Elsevier Ltd. All rights reserved.