[2-(1-Methyl-pyrrolidin-2-yl)-ethyl]-(5-nitro-benzothiazol-2-yl)-amine | 939795-73-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻唑类
• 英文名称: [2-(1-Methyl-pyrrolidin-2-yl)-ethyl]-(5-nitro-benzothiazol-2-yl)-amine
• 英文别名: N-[2-(1-methylpyrrolidin-2-yl)ethyl]-5-nitro-1,3-benzothiazol-2-amine
• CAS: 939795-73-0
• 化学式: C₁₄H₁₈N₄O₂S
• 分子量: 306.389
• InChiKey: FVYATWZMKMTZMJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  102
• 氢给体数：
  1
• 氢受体数：
  6

上下游信息

• 上游原料

  中文名称	英文名称	CAS号	化学式	分子量
  2-氨基-5-硝基苯并噻唑	5-nitro-benzothiazol-2-ylamine	73458-39-6	C7H5N3O2S	195.202
  5-硝基-2(3H)-苯并噻唑酮腙	2(3H)-Benzothiazolone,5-nitro-,hydrazone(9CI)	80945-80-8	C7H6N4O2S	210.216
  2-氯-5-硝基苯并噻唑	2-chloro-5-nitro-benzothiazole	3622-38-6	C7H3ClN2O2S	214.632

• 下游产品

  中文名称	英文名称	CAS号	化学式	分子量
  ——	N2-[2-(1-Methyl-pyrrolidin-2-yl)-ethyl]-benzothiazole-2,5-diamine	939795-83-2	C14H20N4S	276.406

反应信息

• 作为反应物：
  描述：

  [2-(1-Methyl-pyrrolidin-2-yl)-ethyl]-(5-nitro-benzothiazol-2-yl)-amine 在 tin(ll) chloride 作用下， 以 乙醇 为溶剂， 生成 N2-[2-(1-Methyl-pyrrolidin-2-yl)-ethyl]-benzothiazole-2,5-diamine
  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 、 氯化亚砜 作用下， 以 乙二醇 为溶剂， 生成 [2-(1-Methyl-pyrrolidin-2-yl)-ethyl]-(5-nitro-benzothiazol-2-yl)-amine
  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

• Amino benzothiazole compounds with NOS inhibitory activity
  申请人：Ramnauth Jailall

  公开号：US20050209291A1

  公开（公告）日：2005-09-22

  The present invention provides novel amino benzothiazole compounds, compositions comprising these compounds and methods of using these compounds as neuroprotectants. In particular, the compounds described in the present invention are useful for treating stroke and neuropathic pain.

  本发明提供了新型氨基苯并噻唑化合物，包括这些化合物的组合物以及使用这些化合物作为神经保护剂的方法。特别是，本发明所描述的化合物对于治疗中风和神经病性疼痛非常有用。
• US7141595B2
  申请人：——

  公开号：US7141595B2

  公开（公告）日：2006-11-28