3-oxo-3H-benzo[d]isothiazole-2-carboxylic acid ethylamide | 28018-59-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻唑类
• 英文名称: 3-oxo-3H-benzo[d]isothiazole-2-carboxylic acid ethylamide
• 英文别名: 3-oxo-3H-benzo[d]isothiazole-2-carboxylic acid ethylamide；N-ethyl-3-oxo-1,2-benzothiazole-2-carboxamide
• CAS: 28018-59-9
• 化学式: C₁₀H₁₀N₂O₂S
• 分子量: 222.268
• InChiKey: PWFMXAYYSQZBBQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  74.7
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  1,2-苯并异噻唑-3-酮 、 异氰酸乙酯 以 四氢呋喃 为溶剂， 反应 1.0h， 以46%的产率得到3-oxo-3H-benzo[d]isothiazole-2-carboxylic acid ethylamide
  参考文献：
  名称：

  [EN] BENZISOTHIAZOL-3-ONE-CARBOXYLIC ACID AMIDES AS PHOSPHOLIPASE INHIBITORS
  [FR] AMIDES DE L'ACIDE BENZISOTHIAZOL-3-ONE-CARBOXYLIQUE INHIBITEURS DES PHOSPHOLIPASE

  摘要：

  本发明揭示了一类新的苯并异噻唑-3(2H)-酮化合物，以及利用这些化合物抑制肝脂酶和/或内皮脂酶活性，用于治疗、改善或预防肝脂酶和/或内皮脂酶介导的疾病。

  公开号：

  WO2004094394A1

文献信息

• Benzisothiazol-3-one-carboxylic acid amides as phospholipase inhibitors
  申请人：Eacho Irving Patrick

  公开号：US20060276522A1

  公开（公告）日：2006-12-07

  A novel class of benzisothiazole-3(2H)-one compounds is disclosed together with the use of such compounds for inhibiting hepatic lipase and/or endothelial lipase activity for treatment, amelioration or prevention of hepatic lipase and/or endothelial lipase mediated diseases. (I)

  本发明揭示了一种新的苯并异噻唑-3(2H)-酮化合物类别，以及使用这些化合物来抑制肝脂酶和/或内皮脂酶活性，以治疗、改善或预防肝脂酶和/或内皮脂酶介导的疾病。(I)
• Design, synthesis and evaluation of 1,2-benzisothiazol-3-one derivatives as potent caspase-3 inhibitors
  作者：Dazhi Liu、Zhen Tian、Zhihui Yan、Lixin Wu、Yan Ma、Quan Wang、Wei Liu、Honggang Zhou、Cheng Yang

  DOI：10.1016/j.bmc.2013.03.075

  日期：2013.6

  A number of 1,2-benzisothiazol-3-one derivatives were prepared through structural modification of the original compound from high-throughput screening. Some analogues (e. g., 6b, 6r, 6s and 6w) were identified as novel and potent caspase inhibitors with IC50 of nanomolar. Structure-activity relationship (SAR) studies for caspase-3 inhibition were evaluated in vitro. Molecular modeling studies provided further insight into the interaction of this class of compounds with activated caspase-3. The present small molecule caspase-3 inhibitor with novel structures different from structures of known caspase inhibitors revealed a new direction for therapeutic strategies directed against diseases involving abnormally up-regulated apoptosis. (C) 2013 Elsevier Ltd. All rights reserved.
• US7595403B2
  申请人：——

  公开号：US7595403B2

  公开（公告）日：2009-09-29
• [EN] BENZISOTHIAZOL-3-ONE-CARBOXYLIC ACID AMIDES AS PHOSPHOLIPASE INHIBITORS<br/>[FR] AMIDES DE L'ACIDE BENZISOTHIAZOL-3-ONE-CARBOXYLIQUE INHIBITEURS DES PHOSPHOLIPASE
  申请人：LILLY CO ELI

  公开号：WO2004094394A1

  公开（公告）日：2004-11-04

  A novel class of benzisothiazole-3(2H)-one compounds is disclosed together with the use of such compounds for inhibiting hepatic lipase and/or endothelial lipase activity for treatment, amelioration or prevention of hepatic lipase and/or endothelial lipase mediated diseases. (I)

  本发明揭示了一类新的苯并异噻唑-3(2H)-酮化合物，以及利用这些化合物抑制肝脂酶和/或内皮脂酶活性，用于治疗、改善或预防肝脂酶和/或内皮脂酶介导的疾病。