1,4-dihydro-benzo[d][1,3]thiazine-2-thione | 493-64-1

• 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: 1,4-dihydro-benzo[d][1,3]thiazine-2-thione
• 英文别名: 1,4-Dihydro-benzo[d][1,3]thiazin-2-thion；1,4-dihydro-2H-3,1-benzothiazin-2-thione；4H-3,1-Benzothiazine-2-thiol；1,4-dihydro-3,1-benzothiazine-2-thione
• CAS: 493-64-1
• 化学式: C₈H₇NS₂
• mdl: MFCD07339560
• 分子量: 181.282
• InChiKey: CFQKBLDAMMCXOM-UHFFFAOYSA-N

物化性质

• 沸点：
  301.8±45.0 °C(Predicted)
• 密度：
  1.38±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.125
• 拓扑面积：
  69.4
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2934999090

反应信息

• 作为反应物：
  描述：

  1,4-dihydro-benzo[d][1,3]thiazine-2-thione 在 氢氧化钾 、 双氧水 作用下， 生成 1,4-dihydro-benzo[d][1,3]thiazin-2-one
  参考文献：
  名称：

  Kitamura, Yakugaku Zasshi/Journal of the Pharmaceutical Society of Japan, 1934, vol. 54, p. 4,10,98; dtsch.Ref.S.4,7,12

  摘要：

  DOI：
• 作为产物：
  描述：

  邻氨基苯甲醇 、 alkaline earth salt of/the/ methylsulfuric acid 在 氢氧化钾 作用下， 生成 1,4-dihydro-benzo[d][1,3]thiazine-2-thione
  参考文献：
  名称：

  Beilenson et al., Journal of the Chemical Society, 1945, p. 222,227

  摘要：

  DOI：

文献信息

• STABILIZATION OF HYDROXYLAMINE CONTAINING SOLUTIONS AND METHOD FOR THEIR PREPARATION
  申请人：Lee Wai Mun

  公开号：US20090112024A1

  公开（公告）日：2009-04-30

  The invention relates to the use of amidoximes for prevention of or stabilization of hydroxylamine compounds against undesired decomposition.

  本发明涉及将酰胺肟用于预防或稳定羟基胺化合物，防止其不受控分解。
• Tetrazolo- and triazolobenzothiazines
  申请人：Eli Lilly and Company

  公开号：US04001227A1

  公开（公告）日：1977-01-04

  A class of 5H-tetrazolo[1,5-a][3,1]benzothiazines and 5H-s-triazolo[4,3-a][3,1]benzothiazines are fungicides useful for the protection of plants from fungal foliar phytopathogens.

  一类5H-四唑并[1,5-a][3,1]苯并噻唑和5H-s-三唑并[4,3-a][3,1]苯并噻唑是杀真菌剂，可用于保护植物免受真菌叶面植物病原体的侵害。
• Kitamura, Yakugaku Zasshi/Journal of the Pharmaceutical Society of Japan, 1937, vol. 57, p. 97,105; dtsch. Ref. S. 51
  作者：Kitamura

  DOI：——

  日期：——
• Selective Inhibition of Extracellular Thioredoxin by Asymmetric Disulfides
  作者：Thomas R. DiRaimondo、Nicholas M. Plugis、Xi Jin、Chaitan Khosla

  DOI：10.1021/jm301775s

  日期：2013.2.14

  Whereas the role of mammalian thioredoxin (Trx) as an intracellular protein cofactor is widely appreciated, its function in the extracellular environment is not well-understood. Only few extracellular targets of Trx-mediated thiol disulfide exchange are known. For example, Trx activates extracellular transglutaminase 2 (TG2) via reduction of an intramolecular disulfide bond. Because hyperactive TG2 is thought to play a role in various diseases, understanding the biological role of utracellular Trx may provide critical insight into the pathogenesis of these disorders. Starting from a clinical-stage asymmetric disulfide lead, we have identified analogs with >100-fold specificity for Trx. Structure-activity relationship and computational docking model analyses have provided insights into the features important for enhancing potency and specificity. The most active compound identified had an IC50 below 0.1 mu M in cell culture and may be appropriate for in vivo use to interrogate the role of extracellular Trx in health and disease.
• Beilenson et al., Journal of the Chemical Society, 1945, p. 222,227
  作者：Beilenson et al.

  DOI：——

  日期：——