5-[1-(2-methoxyphenyl)-3-(2,2,6,6-tetramethyltetrahydro-2H-pyran-4-yl)-1H-pyrazol-5-yl]-2-methylpyridine | 1567335-30-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 5-[1-(2-methoxyphenyl)-3-(2,2,6,6-tetramethyltetrahydro-2H-pyran-4-yl)-1H-pyrazol-5-yl]-2-methylpyridine
• 英文别名: 5-[2-(2-Methoxyphenyl)-5-(2,2,6,6-tetramethyloxan-4-yl)pyrazol-3-yl]-2-methylpyridine；5-[2-(2-methoxyphenyl)-5-(2,2,6,6-tetramethyloxan-4-yl)pyrazol-3-yl]-2-methylpyridine
• CAS: 1567335-30-1
• 化学式: C₂₅H₃₁N₃O₂
• 分子量: 405.54
• InChiKey: ACOTUHHBXOJGFA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  30
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  49.2
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2-(2-methoxyphenyl)-5-(2,2,6,6-tetramethyltetrahydropyran-4-yl)-2,4-dihydropyrazol-3-one 在 四(三苯基膦)钯 、 sodium carbonate 、 N,N-二异丙基乙胺 作用下， 以 乙醇 、 1,2-二氯乙烷 、 甲苯 为溶剂， 生成 5-[1-(2-methoxyphenyl)-3-(2,2,6,6-tetramethyltetrahydro-2H-pyran-4-yl)-1H-pyrazol-5-yl]-2-methylpyridine
  参考文献：
  名称：

  Discovery and optimization of a novel series of pyrazolyltetrahydropyran N-type calcium channel (Cav 2.2) blockers for the treatment of pain

  摘要：

  A novel series of pyrazolyltetrahydropyran N-type calcium channel blockers are described. Structural modifications of the series led to potent compounds in both a cell-based fluorescent calcium influx assay and a patch clamp electrophysiology assay. Representative compounds from the series were bioavailable and showed efficacy in the rat CFA and CCI models of inflammatory and neuropathic pain.

  DOI：

  10.1016/j.bmcl.2018.10.007

文献信息

• SUBSTITUTED PYRAZOLES AS N-TYPE CALCIUM CHANNEL BLOCKERS
  申请人：Janssen Pharmaceutica NV

  公开号：US20140163031A1

  公开（公告）日：2014-06-12

  The present invention relates to compounds of Formula (I), wherein X 1 , X 2 , X 3 , X 4 , R 1 , R 2 , R 3 , and Q are as defined herein, useful as N-type calcium channel blockers.

  本发明涉及式(I)的化合物，其中X1、X2、X3、X4、R1、R2、R3和Q的定义如本文所述，作为N型钙通道阻滞剂有用。
• US8901314B2
  申请人：——

  公开号：US8901314B2

  公开（公告）日：2014-12-02
• Discovery and optimization of a novel series of pyrazolyltetrahydropyran N-type calcium channel (Cav 2.2) blockers for the treatment of pain
  作者：Mark J. Wall、Nalin L. Subasinghe、Michael P. Winters、Mary Lou Lubin、Michael F.A. Finley、Ning Qin、Michael R. Brandt、Michael P. Neeper、Craig R. Schneider、Raymond W. Colburn、Christopher M. Flores、Zhihua Sui

  DOI：10.1016/j.bmcl.2018.10.007

  日期：2018.12

  A novel series of pyrazolyltetrahydropyran N-type calcium channel blockers are described. Structural modifications of the series led to potent compounds in both a cell-based fluorescent calcium influx assay and a patch clamp electrophysiology assay. Representative compounds from the series were bioavailable and showed efficacy in the rat CFA and CCI models of inflammatory and neuropathic pain.