1-(2-((benzo[d]thiazol-2-ylthio)methyl)phenyl)-3,3-diethylazetidine-2,4-dione | 1198107-98-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氮杂环丁烷
• 英文名称: 1-(2-((benzo[d]thiazol-2-ylthio)methyl)phenyl)-3,3-diethylazetidine-2,4-dione
• 英文别名: 1-[2-(1,3-benzothiazol-2-ylsulfanylmethyl)phenyl]-3,3-diethylazetidine-2,4-dione
• CAS: 1198107-98-0
• 化学式: C₂₁H₂₀N₂O₂S₂
• 分子量: 396.534
• InChiKey: SFEIEFMAOHVMLN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  27
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  104
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  1-(2-(bromomethyl)phenyl)-3,3-diethylazetidine-2,4-dione 、 2-巯基苯并噻唑 在 三乙胺 作用下， 以 四氢呋喃 为溶剂， 生成 1-(2-((benzo[d]thiazol-2-ylthio)methyl)phenyl)-3,3-diethylazetidine-2,4-dione
  参考文献：
  名称：

  4-Oxo-β-内酰胺（Azetidine-2,4-diones）是人类白细胞弹性蛋白酶的有效和选择性抑制剂

  摘要：

  人白细胞弹性蛋白酶（HLE）是一种在中性粒细胞中存储和分泌的丝氨酸蛋白酶，在几种肺部疾病的发病机理中起决定性作用。以前被报道作为猪胰弹性蛋白酶的酰化剂的4-氧代-β-内酰胺被发现是选择性和有效的HLE抑制剂。结构活性关系分析表明，抑制活性对C-3取代基的性质非常敏感，与宝石甲基苄基或乙基苄基对应物相比，较小的烷基取代基（如宝石二乙基）提高了抑制效能。在N 1的对位含有杂芳基硫甲基的4-Oxo-β-内酰胺芳基部分，得到高度有效的和HLE的选择性抑制，甚至在非常低的抑制剂的酶比率，如由ķ上的3.24×10值6中号-1小号-1为1207米。相应的邻位异构体的效力降低了40到90倍。

  DOI：

  10.1021/jm901082k

文献信息

• Methods and pharmaceutical compositions for the treatment of bacterial infections in patients suffering from cirrhosis
  申请人：INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE)

  公开号：US10201536B2

  公开（公告）日：2019-02-12

  The present invention relates to methods and pharmaceutical compositions for the treatment of bacterial infections in patients suffering from cirrhosis. In particular, the present invention relates to a method of treating bacterial infection in a patient suffering from cirrhosis comprising administering to the patient a therapeutically effective amount of a TLR7 and/or TLR8 agonist.

  本发明涉及治疗肝硬化患者细菌感染的方法和药物组合物。特别是，本发明涉及一种治疗肝硬化患者细菌感染的方法，包括向患者施用治疗有效量的TLR7和/或TLR8激动剂。
• METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF BACTERIAL INFECTIONS IN PATIENTS SUFFERING FROM CIRRHOSIS
  申请人：INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE)

  公开号：US20180140597A1

  公开（公告）日：2018-05-24

  The present invention relates to methods and pharmaceutical compositions for the treatment of bacterial infections in patients suffering from cirrhosis. In particular, the present invention relates to a method of treating bacterial infection in a patient suffering from cirrhosis comprising administering to the patient a therapeutically effective amount of a TLR7 and/or TLR8 agonist.
• [EN] METHODS AND COMPOSITIONS FOR THE TREATMENT OF A CHAGAS DISEASE<br/>[FR] MÉTHODES ET COMPOSITIONS POUR LE TRAITEMENT DE LA MALADIE DE CHAGAS
  申请人：BIOMED VALLEY DISCOVERIES

  公开号：WO2014186623A2

  公开（公告）日：2014-11-20

  The present invention provides, inter alia, methods for treating or ameliorating the effects of a Chagas disease. The methods include administering to a subject in need thereof an effective amount of a first active agent selected from the group consisting of a histamine-H1-receptor antagonist, a selective neutrophil elastase inhibitor, an ergot alkaloid derivative, an inhibitor of 3 β-hydroxysteroid dehydrogenase, a reversible acetylcholinesterase inhibitor, a protease inhibitor, an aldosterone antagonist, a naphthoquinone, and combinations thereof, and a second active agent, which is benznidazole. Also provided are compositions for treating or ameliorating the effects of a Chagas disease. The compositions include azelastine and benznidazole in amounts effective to treat or ameliorate the effect of a Chagas disease and a pharmaceutically acceptable carrier.
• 4-Oxo-β-lactams (Azetidine-2,4-diones) Are Potent and Selective Inhibitors of Human Leukocyte Elastase
  作者：Jalmira Mulchande、Rudi Oliveira、Marta Carrasco、Luís Gouveia、Rita C. Guedes、Jim Iley、Rui Moreira

  DOI：10.1021/jm901082k

  日期：2010.1.14

  sensitive to the nature of C-3 substituents, with small alkyl substituents such as a gem-diethyl group improving the inhibitory potency when compared to gem-methyl benzyl or ethyl benzyl counterparts. 4-Oxo-β-lactams containing a heteroarylthiomethyl group on the para position of an N1-aryl moiety afforded highly potent and selective inhibition of HLE, even at a very low inhibitor to enzyme ratio, as shown

  人白细胞弹性蛋白酶（HLE）是一种在中性粒细胞中存储和分泌的丝氨酸蛋白酶，在几种肺部疾病的发病机理中起决定性作用。以前被报道作为猪胰弹性蛋白酶的酰化剂的4-氧代-β-内酰胺被发现是选择性和有效的HLE抑制剂。结构活性关系分析表明，抑制活性对C-3取代基的性质非常敏感，与宝石甲基苄基或乙基苄基对应物相比，较小的烷基取代基（如宝石二乙基）提高了抑制效能。在N 1的对位含有杂芳基硫甲基的4-Oxo-β-内酰胺芳基部分，得到高度有效的和HLE的选择性抑制，甚至在非常低的抑制剂的酶比率，如由ķ上的3.24×10值6中号-1小号-1为1207米。相应的邻位异构体的效力降低了40到90倍。