2-(4-Isopropyl-3-methyl-phenoxy)-benzenesulfonyl chloride | 206262-45-5

• 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: 2-(4-Isopropyl-3-methyl-phenoxy)-benzenesulfonyl chloride
• 英文别名: 2-(3-Methyl-4-propan-2-ylphenoxy)benzenesulfonyl chloride
• CAS: 206262-45-5
• 化学式: C₁₆H₁₇ClO₃S
• 分子量: 324.828
• InChiKey: PNGOBOBUEGCJRS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  51.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-(4-Isopropyl-3-methyl-phenoxy)-benzenesulfonyl chloride 在 吡啶 、 lithium aluminium tetrahydride 作用下， 以 乙醚 、 二氯甲烷 为溶剂， 生成
  参考文献：
  名称：

  Structure-based design of caspase-1 inhibitor containing a diphenyl ether sulfonamide

  摘要：

  A series of compounds was designed and prepared as inhibitors of interleukin-1 beta converting enzyme (ICE), also known as caspase-1. These inhibitors, which employ a diphenyl ether sulfonamide, were designed to improve potency by forming favorable interactions between the diphenyl ether rings and the prime side hydrophobic region. An X-ray crystal structure of a representative member of the diphenyl ether sulfonamide series bound to the active site of caspase-1 was obtained. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00573-x
• 作为产物：
  描述：

  3-甲基-4-异丙基苯酚 在 镍 盐酸 、 potassium tert-butylate 、 氢气 、 溶剂黄146 、 sodium nitrite 作用下， 以 四氢呋喃 为溶剂， 反应 1.0h， 生成 2-(4-Isopropyl-3-methyl-phenoxy)-benzenesulfonyl chloride
  参考文献：
  名称：

  Structure-based design of caspase-1 inhibitor containing a diphenyl ether sulfonamide

  摘要：

  A series of compounds was designed and prepared as inhibitors of interleukin-1 beta converting enzyme (ICE), also known as caspase-1. These inhibitors, which employ a diphenyl ether sulfonamide, were designed to improve potency by forming favorable interactions between the diphenyl ether rings and the prime side hydrophobic region. An X-ray crystal structure of a representative member of the diphenyl ether sulfonamide series bound to the active site of caspase-1 was obtained. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00573-x

文献信息

• SULFONAMIDE SUBSTITUTED ASPARTIC ACID INTERLEUKIN-1BETA CONVERTING ENZYME INHIBITORS
  申请人：Warner-Lambert Company LLC

  公开号：EP0932600B1

  公开（公告）日：2006-02-08
• SULFONAMIDE SUBSTITUTED ASPARTIC ACID INTERLEUKIN-1$g(b) CONVERTING ENZYME INHIBITORS
  申请人：WARNER-LAMBERT COMPANY

  公开号：EP0932600A2

  公开（公告）日：1999-08-04
• US6054487A
  申请人：——

  公开号：US6054487A

  公开（公告）日：2000-04-25
• US6083981A
  申请人：——

  公开号：US6083981A

  公开（公告）日：2000-07-04
• [EN] SULFONAMIDE SUBSTITUTED ASPARTIC ACID INTERLEUKIN-1 beta CONVERTING ENZYME INHIBITORS<br/>[FR] INHIBITEURS DE L'ENZYME DE CONVERSION DE L'INTERLEUKINE 1 beta A BASE D'ACIDE ASPARTIQUE A SUBSTITUTION SULFONAMIDE
  申请人：WARNER-LAMBERT COMPANY

  公开号：WO1998016504A2

  公开（公告）日：1998-04-23

  (EN) The present invention relates to compounds that are inhibitors of interleukin-1$g(b) converting enzyme that have Formula (I, II or III). This invention also relates to a method of treatment of stroke, inflammatory diseases, septic shock, reperfusion injury, Alzheimer's disease, and shigellosis, and to a pharmaceutically acceptable composition that contains a compound that is an inhibitor of interleukin-1$g(b) converting enzyme.(FR) L'invention concerne des composés inhibiteurs de l'enzyme de conversion de l'interleukine 1$g(b), représentés par la formule (I), (II) ou (III). L'invention se rapporte également à une méthode de traitement d'ictus, de maladies inflammatoires, de chocs septiques, de lésions dues à la reperfusion, de la maladie d'Alzheimer et de la shigellose, et à une composition pharmaceutiquement acceptable qui contienne un composé inhibiteur de l'enzyme de conversion de l'interleukine 1$g(b).