5-硝基-2(3H)-苯并噻唑酮腙 | 80945-80-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻唑类
• 中文名称: 5-硝基-2(3H)-苯并噻唑酮腙
• 英文名称: 2(3H)-Benzothiazolone,5-nitro-,hydrazone(9CI)
• 英文别名: (5-nitro-1,3-benzothiazol-2-yl)hydrazine
• CAS: 80945-80-8
• 化学式: C₇H₆N₄O₂S
• 分子量: 210.216
• InChiKey: MCZYTJKXOWEBIH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  125
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  5-硝基-2(3H)-苯并噻唑酮腙 在 氯化亚砜 作用下， 生成 2-氯-5-硝基苯并噻唑
  参考文献：
  名称：

  Novel 2-aminobenzothiazoles as selective neuronal nitric oxide synthase inhibitors

  摘要：

  A series of substituted 2-aminobenzothiazole compounds have been synthesized and evaluated as nitric oxide synthase (NOS) inhibitors. Compound 14 shows activity in the nM range and is selective for the human neuronal NOS isoform. We have also evaluated the compounds against the rat NOS isoforms. For some of the compounds, there are significant differences in NOS inhibitory activities between the human and rat enzymes. For example, compound 10b has nM activity against the rat nNOS while low mu M activity against the human nNOS. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.02.011
• 作为产物：
  描述：

  2-氨基-5-硝基苯并噻唑 在 sodium hydroxide 作用下， 以 乙二醇 为溶剂， 生成 5-硝基-2(3H)-苯并噻唑酮腙
  参考文献：
  名称：

  Novel 2-aminobenzothiazoles as selective neuronal nitric oxide synthase inhibitors

  摘要：

  A series of substituted 2-aminobenzothiazole compounds have been synthesized and evaluated as nitric oxide synthase (NOS) inhibitors. Compound 14 shows activity in the nM range and is selective for the human neuronal NOS isoform. We have also evaluated the compounds against the rat NOS isoforms. For some of the compounds, there are significant differences in NOS inhibitory activities between the human and rat enzymes. For example, compound 10b has nM activity against the rat nNOS while low mu M activity against the human nNOS. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.02.011

文献信息

• Sharma, Pratibha; Mandloi, Anupam; Pritmani, Shreeya, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1999, vol. 38, # 11, p. 1289 - 1294
  作者：Sharma, Pratibha、Mandloi, Anupam、Pritmani, Shreeya

  DOI：——

  日期：——
• ——
  作者：HORSTMANN W.

  DOI：——

  日期：——
• US3936444A
  申请人：——

  公开号：US3936444A

  公开（公告）日：1976-02-03