2-[1,1-dioxo-2-(4-pyrrol-1-yl-phenyl)-2,3-dihydro-1H-benzo[d]isothiazol-3-yl]acetic acid | 1087011-45-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: 2-[1,1-dioxo-2-(4-pyrrol-1-yl-phenyl)-2,3-dihydro-1H-benzo[d]isothiazol-3-yl]acetic acid
• 英文别名: 2-[1,1-dioxo-2-(4-pyrrol-1-ylphenyl)-3H-1,2-benzothiazol-3-yl]acetic acid
• CAS: 1087011-45-7
• 化学式: C₁₉H₁₆N₂O₄S
• 分子量: 368.413
• InChiKey: BNPRVJNEXORJNF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  26
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  88
• 氢给体数：
  1
• 氢受体数：
  5

文献信息

• Bicyclosulfonyl Acid (BCSA) Compounds and Their Use as Therapeutic Agents
  申请人：Jirgensons Aigars

  公开号：US20100311741A1

  公开（公告）日：2010-12-09

  This invention pertains generally to the field of therapeutic compounds, and more particularly, to certain bicyclosulfonyl acid (BCSA) compounds which act as inhibitors of Tumour Necrosis Factor-α Converting Enzyme (TACE). The compounds are useful in the treatment of conditions mediated by TNF-α, such as rheumatoid arthritis; inflammation; psoriasis; septic shock; graft rejection; cachexia; anorexia; congestive heart failure; post ischaemic reperfusion injury; inflammatory disease of the central nervous system; inflammatory bowel disease; insulin resistance; HIV infection; cancer; chronic obstructive pulmonary disease (COPD); and asthma. The present invention also pertains to pharmaceutical compositions comprising such compounds, and the use of such compounds and compositions, both in vitro and in vivo, in the inhibition of TACE, and in the treatment of conditions that are ameliorated by the inhibition of TACE.

  本发明涉及治疗化合物领域，更具体地涉及某些双环磺酸（BCSA）化合物，其作为肿瘤坏死因子-α转化酶（TACE）的抑制剂。这些化合物对于治疗由TNF-α介导的疾病非常有用，例如类风湿性关节炎；炎症；银屑病；脓毒症休克；移植排斥；消瘦症；厌食症；充血性心力衰竭；缺血再灌注损伤后；中枢神经系统炎症性疾病；炎症性肠病；胰岛素抵抗；HIV感染；癌症；慢性阻塞性肺疾病（COPD）和哮喘。本发明还涉及包括这些化合物的制药组合物，以及这些化合物和组合物的使用，无论是体外还是体内，用于抑制TACE并治疗通过抑制TACE得到改善的疾病。