(5-ethyl-[1,3,4]thiadiazol-2-yl)-acetic acid ethyl ester | 1257266-79-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: (5-ethyl-[1,3,4]thiadiazol-2-yl)-acetic acid ethyl ester
• 英文别名: ethyl 2-(5-ethyl-1,3,4-thiadiazol-2-yl)acetate
• CAS: 1257266-79-7
• 化学式: C₈H₁₂N₂O₂S
• 分子量: 200.261
• InChiKey: LUWIZQJHQLRPNV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  13
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  80.3
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (5-ethyl-[1,3,4]thiadiazol-2-yl)-acetic acid ethyl ester 在 水 、 sodium hydroxide 、 盐酸 作用下， 以 乙醇 、 水 为溶剂， 反应 18.0h， 生成 (5-ethyl-[1,3,4]thiadiazol-2-yl)-acetic acid
  参考文献：
  名称：

  [EN] SUBSTITUTED AMINOBUTYRIC DERIVATIVES AS NEPRILYSIN INHIBITORS
  [FR] DÉRIVÉS AMINOBUTYRIQUES SUBSTITUÉS EN TANT QU'INHIBITEURS DE NÉPRILYSINE

  摘要：

  公开号：

  WO2010136474A3
• 作为产物：
  描述：

  Malonsaeure-ethylester-(N'-propionyl-hydrazid) 在 劳森试剂 作用下， 以 四氢呋喃 为溶剂， 反应 18.0h， 生成 (5-ethyl-[1,3,4]thiadiazol-2-yl)-acetic acid ethyl ester
  参考文献：
  名称：

  [EN] SUBSTITUTED AMINOBUTYRIC DERIVATIVES AS NEPRILYSIN INHIBITORS
  [FR] DÉRIVÉS AMINOBUTYRIQUES SUBSTITUÉS EN TANT QU'INHIBITEURS DE NÉPRILYSINE

  摘要：

  公开号：

  WO2010136474A3

文献信息

• Substituted aminobutyric derivatives as neprilysin inhibitors
  申请人：Novartis AG

  公开号：US08263629B2

  公开（公告）日：2012-09-11

  The present invention provides a compound of formula I′; or a pharmaceutically acceptable salt thereof, wherein R1, R2, R3, X and n are defined herein. The invention also relates to a method for manufacturing the compounds of the invention, and its therapeutic uses. The present invention further provides a combination of pharmacologically active agents and a pharmaceutical composition.

  本发明提供公式I′的化合物；或其药学上可接受的盐，其中R1、R2、R3、X和n在此定义。本发明还涉及一种制造本发明化合物的方法及其治疗用途。本发明还提供了一种药理活性剂的组合物和制药组合物。
• Substituted Aminobutyric Derivatives as Neprilysin Inhibitors
  申请人：Coppola Gary Mark

  公开号：US20120252830A1

  公开（公告）日：2012-10-04

  The present invention provides a compound of formula I′; or a pharmaceutically acceptable salt thereof, wherein R 1 , R 2 , R 3 , X and n are defined herein. The invention also relates to a method for manufacturing the compounds of the invention, and its therapeutic uses. The present invention further provides a combination of pharmacologically active agents and a pharmaceutical composition.

  本发明提供了公式I'的化合物；或其药学上可接受的盐，其中R1、R2、R3、X和n在此定义。本发明还涉及制造本发明化合物的方法及其治疗用途。本发明还提供了一种药理活性剂的组合和制药组合物。
• SUBSTITUTED AMINOBUTYRIC DERIVATIVES AS NEPRILYSIN INHIBITORS
  申请人：COPPOLA Gary Mark

  公开号：US20150174089A1

  公开（公告）日：2015-06-25

  The present invention provides a compound of formula I′; or a pharmaceutically acceptable salt thereof, wherein R 1 , R 2 , R 3 , X and n are defined herein. The invention also relates to a method for manufacturing the compounds of the invention, and its therapeutic uses. The present invention further provides a combination of pharmacologically active agents and a pharmaceutical composition.

  本发明提供了式I'的化合物；或其药学上可接受的盐，其中R1、R2、R3、X和n在此定义。本发明还涉及制造本发明中化合物的方法及其治疗用途。本发明还提供了一种药理活性剂的组合和一种制药组合物。
• BETA-LACTAMASE INHIBITORS
  申请人：VenatoRx Pharmaceuticals, Inc.

  公开号：US20170073360A1

  公开（公告）日：2017-03-16

  Described herein are compounds and compositions that modulate the activity of beta-lactamases. In some embodiments, the compounds described herein inhibit beta-lactamase. In certain embodiments, the compounds described herein are useful in the treatment of bacterial infections.
• BENZAMIDE INHIBITORS OF BACTERIAL LIPOPROTEIN SIGNAL PEPTIDASE
  申请人：The Scripps Research Institute

  公开号：US20200181101A1

  公开（公告）日：2020-06-11

  Increasing resistance to antibiotics necessitates discovery of new targets and strategies to combat bacteria. Ideal protein targets are required for viability across many species, are unique to prokaryotes to limit effects on the host and have robust assays to quantitate activity and identify novel inhibitors. Lipoprotein signal peptidase (Lsp) is a transmembrane aspartyl protease required for lipoprotein maturation and entirely fits these criteria. We have developed the first in vitro high-throughput assay to monitor proteolysis by Lsp. We employed our HTS assay against 646,275 compounds to discover inhibitors of Lsp and synthesized a range of analogues to generate molecules with nanomolar IC50 values. Importantly, our inhibitors are effective in preventing the growth of E. coli cultures. Our Lsp assay will be a useful tool for biologists to monitor Lsp activity and our inhibitors will facilitate development of antibacterial agents to potentially treat antibiotic-resistant bacteria.