2-methylene-4H-benzo[1,4]thiazin-3-one | 55043-51-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻嗪类
• 英文名称: 2-methylene-4H-benzo[1,4]thiazin-3-one
• 英文别名: 2-methylene-4H-benzo[1,4]thiazin-3-one；2-methylidene-4H-1,4-benzothiazin-3-one
• CAS: 55043-51-1
• 化学式: C₉H₇NOS
• 分子量: 177.227
• InChiKey: RVNBOKLCTMJVDQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  54.4
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-methylene-4H-benzo[1,4]thiazin-3-one 在 palladium on activated charcoal 盐酸 、 1,4-环己二烯 、 乙酸酐 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 生成 N-Hydroxy-N-(3-oxo-3,4-dihydro-2H-benzo[1,4]thiazin-2-ylmethyl)-formamide
  参考文献：
  名称：

  Identification of novel potent bicyclic peptide deformylase inhibitors

  摘要：

  Collections of small secondary amines for compound library generation can be efficiently prepared by amide reduction using BH3-THF or Red-Al followed by brief methanolysis, trapping with di-tert-butyl dicarbonate, and deprotection with 4 M HCl in dioxane. The sequence requires no chromatography or distillation and provides multi-gram quantities of pure HCl salts in a short time. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.01.014
• 作为产物：
  描述：

  2-Chloro-3-oxo-3,4-dihydro-2H-1,4-benzothiazine 在 sodium ethanolate 作用下， 以 乙醇 、 水 为溶剂， 生成 2-methylene-4H-benzo[1,4]thiazin-3-one
  参考文献：
  名称：

  2-Dialkylphosphonyl- and 2-alkylidene-3,4-dihydro-3-oxo-2H-1,4-benzothiazines

  摘要：

  DOI：

  10.1021/jo00900a011

文献信息

• Drug discovery method
  申请人：Ofer Dror

  公开号：US20050277117A1

  公开（公告）日：2005-12-15

  A method of obtaining information about a chemically active area of a target molecule, for example for drug discovery, comprising: providing a set of substantially rigid chemical gauges; reacting said target with a plurality of gauges of said set of gauges, assaying a binding of said gauges with said target to obtain a plurality of assay results; and analyzing said assay results to obtain information about said chemically active area.

  一种获取有关目标分子的化学活性区域信息的方法，例如用于药物开发，包括：提供一组基本上刚性的化学测量工具；将所述目标物质与该组测量工具中的多个测量工具反应，检测所述测量工具与所述目标物质的结合，以获得多个检测结果；并分析所述检测结果以获取有关所述化学活性区域的信息。
• Bicyclic compounds and compostions as PDF inhibitors
  申请人：Molteni Valentina

  公开号：US20050197326A1

  公开（公告）日：2005-09-08

  This invention is directed to novel bicyclic compounds, to the uses of these compounds in various medicinal applications, including treating disorders amenable to treatment by peptidyl deformylase inhibitors such as treatment of bacterial infections, and to pharmaceutical compositions comprising these compounds.

  本发明涉及新型双环化合物，以及这些化合物在各种医学应用中的用途，包括治疗适用于肽脱甲基酰基酶抑制剂治疗的疾病，如细菌感染的治疗，并涉及包含这些化合物的制药组合物。
• Bicyclic compounds and compositions as PDF inhibitors
  申请人：IRM LLC

  公开号：US07253164B2

  公开（公告）日：2007-08-07

  This invention is directed to novel bicyclic compounds, to the uses of these compounds in various medicinal applications, including treating disorders amenable to treatment by peptidyl deformylase inhibitors such as treatment of bacterial infections, and to pharmaceutical compositions comprising these compounds.

  本发明涉及新型双环化合物，以及这些化合物在各种医学应用中的用途，包括治疗适用于肽变形酶抑制剂治疗的疾病，例如治疗细菌感染，并涉及包含这些化合物的制药组合物。
• BICYCLIC COMPOUNDS AND COMPOSITIONS AS PDF INHIBITORS
  申请人：Molteni Valentina

  公开号：US20070259852A1

  公开（公告）日：2007-11-08

  This invention is directed to novel bicyclic compounds, to the uses of these compounds in various medicinal applications, including treating disorders amenable to treatment by peptidyl deformylase inhibitors such as treatment of bacterial infections, and to pharmaceutical compositions comprising these compounds.

  本发明涉及新型双环化合物、这些化合物在各种药物应用中的用途，包括治疗适用于肽形变酶抑制剂治疗的疾病，例如治疗细菌感染，并涉及包含这些化合物的制药组合物。
• DRUG DISCOVERY METHOD
  申请人：OFER Dror

  公开号：US20110237458A1

  公开（公告）日：2011-09-29

  A method of obtaining information about a chemically active area of a target molecule, for example for drug discovery, comprising: providing a set of substantially rigid chemical gauges; reacting said target with a plurality of gauges of said set of gauges; assaying a binding of said gauges with said target to obtain a plurality of assay results; and analyzing said assay results to obtain information about said chemically active area.

  一种获取目标分子的化学活性区域信息的方法，例如用于药物发现，包括：提供一组基本刚性的化学测量工具；将该目标物质与该测量工具组的多个测量工具反应；测定该测量工具与该目标物质的结合，以获得多个测定结果；并分析该测定结果，以获取有关该化学活性区域的信息。