Sch 356036

• 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: Sch 356036
• 英文别名: SCH-356036；N-(1-{4-[4-chloro-2-(2-fluuoro-benzenesulfonyl)-benzenesulfonyl]-phenyl}-ethyl)-methanesulfonamide；N-(1-{4-[4-chloro-2-(2-fluoro-benzenesulfonyl)-benzenesulfonyl]-phenyl}-ethyl)-methanesulfonamide；(S)-N-(1-(4-(4-chloro-2-(2-fluorophenylsulfonyl)phenylsulfonyl)phenyl)ethyl)methanesulfonamide；N-[(1S)-1-[4-[4-chloro-2-(2-fluorophenyl)sulfonylphenyl]sulfonylphenyl]ethyl]methanesulfonamide
• 化学式: C₂₁H₁₉ClFNO₆S₃
• 分子量: 532.034
• InChiKey: BQYPKXDCTROOHB-AWEZNQCLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  33
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  140
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  2,2,2-三氟-N-[(s)-alpha-甲基苄基]乙酰胺 在 正丁基锂 、 甲烷磺酸 、 1,3-二溴-5,5-二甲基海因 、 lithium 、 三乙胺 、 间氯过氧苯甲酸 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 乙醚 、 正己烷 、 二氯甲烷 为溶剂， 反应 10.92h， 生成 Sch 356036
  参考文献：
  名称：

  Triaryl bis-sulfones as cannabinoid-2 receptor ligands: SAR studies

  摘要：

  We recently reported that compound 1 is a potent inhibitor of the CB2 receptor with high selectivity over CB1. This paper describes the SAR development for this class of compounds. Variation of the substitution pattern on the aromatic rings, as well as the groups linking them together, led to sub-nanomolar inhibitors of the CB2 receptor, with high selectivity over CB1. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.07.023

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。
• Optimization of triaryl bis-sulfones as cannabinoid-2 receptor ligands
  作者：Brian J. Lavey、Joseph A. Kozlowski、Bandarpalle B. Shankar、James M. Spitler、Guowei Zhou、De-Yi Yang、Youheng Shu、Michael K.C. Wong、Shing-Chun Wong、Neng-Yang Shih、Jie Wu、Stuart W. McCombie、Razia Rizvi、Ronald L. Wolin、Charles A. Lunn

  DOI：10.1016/j.bmcl.2007.04.028

  日期：2007.7

  Structure-activity relationship on our recently reported triaryl bis-sulfone class of cannabinoid-2 (C132) receptor selective inverse agonists was explored. Modifications to the methane sulfonamide, substitutions to B and C phenyl rings, and replacements of the C-ring were investigated. A compound with excellent C132 activity, selectivity for C132 over CB I, and in vivo plasma levels was identified. (c) 2007 Elsevier Ltd. All rights reserved.
• Use of CBx cannabinoid receptor modulators as potassium channel modulators
  申请人：Antel Jochen

  公开号：US20070254863A1

  公开（公告）日：2007-11-01

  Methods of treating one or more medical conditions by administering to a subject in need thereof an effective amount of a CB x modulator having K ATP channel modulating properties are described herein. Also described are methods of using a CB x modulator having K ATP channel modulating properties to treat one or more medical conditions.
• Pharmaceutical compositions comprising CBx cannabinoid receptor modulators and potassium channel modulators
  申请人：Antel Jochen

  公开号：US20070254862A1

  公开（公告）日：2007-11-01

  Described herein are pharmaceutical compositions comprising therapeutically effective quantities of (i) a K ATP channel modulator; and (ii) a CB x modulator. Also described herein are methods of making and using these compositions.
• US7507767B2
  申请人：——

  公开号：US7507767B2

  公开（公告）日：2009-03-24