6-Chloro-1-piperidin-4-yl-3,4-dihydro-1H-benzo[1,2,6]thiadiazine 2,2-dioxide | 400801-11-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: 6-Chloro-1-piperidin-4-yl-3,4-dihydro-1H-benzo[1,2,6]thiadiazine 2,2-dioxide
• 英文别名: 6-Chloro-1-piperidin-4-yl-3,4-dihydro-2lambda6,1,3-benzothiadiazine 2,2-dioxide；6-chloro-1-piperidin-4-yl-3,4-dihydro-2λ6,1,3-benzothiadiazine 2,2-dioxide
• CAS: 400801-11-8
• 化学式: C₁₂H₁₆ClN₃O₂S
• 分子量: 301.797
• InChiKey: DLFCGYFNRRTDQI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  19
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  69.8
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  5-methanesulfonyl-1-oxiranylmethyl-3-(4-trifluoromethyl-phenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine 、 6-Chloro-1-piperidin-4-yl-3,4-dihydro-1H-benzo[1,2,6]thiadiazine 2,2-dioxide 以 乙醇 为溶剂， 生成 1-[4-(6-Chloro-2,2-dioxo-3,4-dihydro-2H-2λ⁶-benzo[1,2,6]thiadiazin-1-yl)-piperidin-1-yl]-3-[5-methanesulfonyl-3-(4-trifluoromethyl-phenyl)-4,5,6,7-tetrahydro-pyrazolo[4,3-c]pyridin-1-yl]-propan-2-ol
  参考文献：
  名称：

  The SAR of 4-substituted (6,6-bicyclic) piperidine cathepsin S inhibitors

  摘要：

  A series of competitive, reversible cathepsin S (CatS) inhibitors was investigated. An earlier disclosure detailed the discovery of the 4-(2-keto-1-benzimidazolinyl)-piperidin-1-yl moiety as an effective replacement for the 4-arylpiperazin-1-yl group found in our screening hit. Continued investigation into replacements for the 4-aryl piperazine resulted in the identification of potentially useful CatS inhibitors with enzymatic and Cellular activity similar to that of JNJ 10329670 as disclosed in a previous publication. (C) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.01.038

文献信息

• Method for treating allergies using substituted pyrazoles
  申请人：Butler R. Christopher

  公开号：US20050101587A9

  公开（公告）日：2005-05-12

  A method for treating an allergic condition, including an atopic allergic condition, using substituted pyrazoles.

  使用取代吡唑烷治疗过敏症状的方法，包括特应性过敏症状。
• Substituted pyrazoles
  申请人：Butler R. Christopher

  公开号：US20050245576A1

  公开（公告）日：2005-11-03

  Substituted pyrazoles, methods of manufacturing them, compositions containing them, and methods of using them to treat, for example, autoimmune diseases mediated by cathepsin S are described.

  本文描述了替代吡唑的制备方法、含有它们的组合物以及使用它们治疗由cathepsin S介导的自身免疫性疾病的方法。
• Substituted pyrazoles and methods of treatment with substituted pyrazoles
  申请人：Butler R. Christopher

  公开号：US20070117785A1

  公开（公告）日：2007-05-24

  Substituted pyrazoles, methods of manufacturing them, compositions containing them, and methods of using them to treat, for example, autoimmune diseases or allergic conditions, including atopic allergic conditions, mediated by cathepsin S are described.

  本文描述了替代吡唑的制造方法、含有它们的组合物以及使用它们治疗自身免疫性疾病或过敏症的方法，包括由cathepsin S介导的过敏症，例如特应性过敏症。
• A METHOD FOR TREATING ALLERGIES USING SUBSTITUTED PYRAZOLES
  申请人：Ortho-McNeil Pharmaceutical, Inc.

  公开号：EP1315490B1

  公开（公告）日：2008-11-12
• SUBSTITUTED PYRAZOLES
  申请人：Ortho McNeil Pharmaceuticals, Inc.

  公开号：EP1309593A2

  公开（公告）日：2003-05-14