[35S]-Sch 225336

• 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: [35S]-Sch 225336
• 英文别名: Sch 225336；N-[(1S)-1-[4-[[4-Methoxy-2-[(4-methoxyphenyl)sulfonyl]phenyl]sulfonyl]phenyl]ethyl]methanesulfonamide；N-[(1S)-1-[4-[4-methoxy-2-(4-methoxyphenyl)sulfonylphenyl]sulfonylphenyl]ethyl]methanesulfonamide
• 化学式: C₂₃H₂₅NO₈S₃
• 分子量: 539.651
• InChiKey: NXODIUKWAVUFGF-INIZCTEOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  35
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  158
• 氢给体数：
  1
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  4,4'-二甲氧基二苯二硫 在 lithium hydroxide 、 正丁基锂 、 N,N-二异丙基乙胺 、 间氯过氧苯甲酸 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 正己烷 、 二氯甲烷 为溶剂， 生成 [35S]-Sch 225336
  参考文献：
  名称：

  Triaryl bis-sulfones as a new class of cannabinoid CB2 receptor inhibitors: identification of a lead and initial SAR studies

  摘要：

  A novel class of cannabinoid CB2 receptor ligands is described. These triaryl bis-sulfones are nanomolar inhibitors of the CB2 receptor and show high selectivity over the cannabinoid CB1 receptor. One example of this new class decreases ligand-induced GTPgammaS binding to recombinant CB2 cell membranes, identifying the compound as a CB2-selective inverse agonist. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.11.007

文献信息

• Cannabinoid receptor ligands
  申请人：Schering Corporation

  公开号：US20030232859A1

  公开（公告）日：2003-12-18

  The invention relates to compounds of the formula 1 a prodrug thereof, or a pharmaceutically acceptable salt, solvate or stereoisomer of the compound or of said prodrug; which exhibit anti-inflammatory and immunodulatory activity. Also disclosed are pharmaceutical compositions containing said compounds and methods of using the compounds for the treatment of various diseases and conditions.

  这项发明涉及以下化合物的公式 1 其前药，或该化合物或前药的药用可接受的盐、溶剂合物或立体异构体；这些化合物表现出抗炎和免疫调节活性。还公开了含有这些化合物的药物组合物以及使用这些化合物治疗各种疾病和病况的方法。
• US7507767B2
  申请人：——

  公开号：US7507767B2

  公开（公告）日：2009-03-24
• US7718702B2
  申请人：——

  公开号：US7718702B2

  公开（公告）日：2010-05-18
• Triaryl bis-sulfones as a new class of cannabinoid CB2 receptor inhibitors: identification of a lead and initial SAR studies
  作者：Brian J. Lavey、Joseph A. Kozlowski、R. William Hipkin、Waldemar Gonsiorek、Daniel J. Lundell、John J. Piwinski、Satwant Narula、Charles A. Lunn

  DOI：10.1016/j.bmcl.2004.11.007

  日期：2005.2

  A novel class of cannabinoid CB2 receptor ligands is described. These triaryl bis-sulfones are nanomolar inhibitors of the CB2 receptor and show high selectivity over the cannabinoid CB1 receptor. One example of this new class decreases ligand-induced GTPgammaS binding to recombinant CB2 cell membranes, identifying the compound as a CB2-selective inverse agonist. (C) 2004 Elsevier Ltd. All rights reserved.