N-(4H-3,1 benzothiazin-2-yl)-N'-(4-chlorophenyl)-thiourea | 78959-48-5

• 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: N-(4H-3,1 benzothiazin-2-yl)-N'-(4-chlorophenyl)-thiourea
• 英文别名: 1-(4-Chlorophenyl)-3-(1,4-dihydro-3,1-benzothiazin-2-ylidene)thiourea；1-(4-chlorophenyl)-3-(1,4-dihydro-3,1-benzothiazin-2-ylidene)thiourea
• CAS: 78959-48-5
• 化学式: C₁₅H₁₂ClN₃S₂
• 分子量: 333.865
• InChiKey: YKMTYWHERGAHOL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  21
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  93.8
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  2-(氯甲基)苯胺盐酸盐 以 异丙醇 、 苯 为溶剂， 生成 N-(4H-3,1 benzothiazin-2-yl)-N'-(4-chlorophenyl)-thiourea
  参考文献：
  名称：

  Shridhar, D. R.; Rao, K. Srinivasa; Bhopale, K. K., Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1981, vol. 20, # 6, p. 471 - 473

  摘要：

  DOI：

文献信息

• AMIDINE, THIOUREA AND GUANIDINE DERIVATIVES OF 2-AMINOBENZOTHIAZOLES AND AMINOBENZOTHIAZINES FOR THEIR USE AS PHARMACOLOGICAL AGENTS FOR THE TREATMENT OF NEURODEGENERATIVE PATHOLOGIES
  申请人：Anzini Maurizio

  公开号：US20100197670A1

  公开（公告）日：2010-08-05

  Amidine, thiourea and guanidine derivatives of appropriately substituted 2-aminobenzothiazoles, 2-amino-3,1-4H-benzothiazines and 3-amino-1,4-3H-benzothiazines, as understood from formula (I), the related pharmaceutically acceptable salts and solvates thereof: and the use of the products and the corresponding pharmaceutical formulations for the treatment of neurodegenerative pathologies such as cerebral ischemia, neurodegeneration induced by cranial trauma, Alzheimer's disease, Multiple Sclerosis and Amyotrophic Lateral Sclerosis.

  适当取代的2-氨基苯并噻唑、2-氨基-3,1-4H-苯并噻嗪和3-氨基-1,4-3H-苯并噻嗪的脲、硫脲和胍衍生物，如公式（I）所示，相关的药用可接受盐和溶剂合物：以及所述产品和相应的制药配方用于治疗神经退行性病理，如脑缺血、颅脑创伤引起的神经退化、阿尔茨海默病、多发性硬化症和肌萎缩侧索硬化症。
• SHRIDAHAR, D. R.;RAO, K. S.;BHOPALE, K. K.;TRIPATHI, H. N.;SAI, G. S. T., INDIAN J. CHEM., 1981, 20, N 6, 471-473
  作者：SHRIDAHAR, D. R.、RAO, K. S.、BHOPALE, K. K.、TRIPATHI, H. N.、SAI, G. S. T.

  DOI：——

  日期：——
• US8420634B2
  申请人：——

  公开号：US8420634B2

  公开（公告）日：2013-04-16
• [EN] AMIDINE, THIOUREA AND GUANIDINE DERIVATIVES OF 2-AMINOBENZOTHIAZOLES AND AMINOBENZOTHIAZINES, NOVEL PHARMACOLOGICAL AGENTS FOR THE TREATMENT OF NEURODEGENERATIVE PATHOLOGIES<br/>[FR] DÉRIVÉS AMIDINE, THIOURÉE ET GUANIDINE DE 2-AMINOBENZOTHIAZOLES ET D'AMINOBENZOTHIAZINES, NOUVEAUX AGENTS PHARMACOLOGIQUES POUR LE TRAITEMENT DES PATHOLOGIES NEURODÉGÉNÉRATIVES
  申请人：ROTTAPHARM SPA

  公开号：WO2009040331A2

  公开（公告）日：2009-04-02

  The present invention relates to novel amidine, thiourea and guanidine derivatives of appropriately substituted 2-aminobenzothiazoles, 2-amino-3,l-4H-benzothiazines and 3- amino-l,4-3H-benzothiazines, as understood from formula (I), the related pharmaceutically acceptable salts and solvates thereof: Formula (I): and the use of said products and the corresponding pharmaceutical formulations for the treatment of neurodegenerative pathologies such as cerebral ischemia, neurodegeneration induced by cranial trauma, Alzheimer's disease, Multiple Sclerosis and Amyotrophic Lateral Sclerosis.