(4-Azaniumyl-3-methylphenyl)-diethylazanium;dichloride

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (4-Azaniumyl-3-methylphenyl)-diethylazanium;dichloride
• 化学式: C11H20Cl2N2
• 分子量: 251.19
• InChiKey: HOIKPIMCTGFJFX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.27
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  29.3
• 氢给体数：
  3
• 氢受体数：
  2

文献信息

• Methods of chemical synthesis and purification of diaminophenothiazinium compounds including methylthioninium chloride (MTC)
  申请人：Wischik M. Claude

  公开号：US20060287523A1

  公开（公告）日：2006-12-21

  This invention pertains generally to the field of chemical synthesis and purification, and more specifically to methods of synthesizing and purifying certain 3,7-diaminophenothiazin-5-ium compounds (referred to herein as “diaminophenothiazinium compounds”) including Methythioninium Chloride (MTC) (also known as Methylene Blue). In one embodiment, the method comprises the steps of, in order: nitrosylation (NOS); nitrosyl reduction (NR); thiosulfonic acid formation (TSAF); oxidative coupling (OC); Cr(VI) reduction (CR); isolation and purification of zwitterionic intermediate (IAPOZI); ring closure (RC); chloride salt formation (CSF); one of: sulphide treatment (ST); dimethyldithiocarbamate treatment (DT); carbonate treatment (CT); ethylenediaminetetraacetic acid treatment (EDTAT); organic extraction (OE); and recrystallisation (RX). The present invention also pertains to the resulting (high purity) compounds, compositions comprising them (e.g., tablets, capsules), and their use in methods of inactivating pathogens, and methods of medical treatment and diagnosis, etc., for example, for tauopathies, Alzheimer's disease (AD), skin cancer, melanoma, viral diseases, bacterial diseases, or protozoal diseases.

  本发明通常涉及化学合成和纯化领域，更具体地涉及合成和纯化某些3,7-二氨基苯并噻嗪-5-ium化合物（以下简称“二氨基苯并噻嗪化合物”），包括甲基硫脲氯化物（MTC）（也称亚甲蓝）。在一种实施例中，该方法按顺序包括以下步骤：亚硝酰化（NOS）；亚硝基还原（NR）；硫代磺酸形成（TSAF）；氧化偶合（OC）；Cr（VI）还原（CR）；离子对中间体的分离和纯化（IAPOZI）；环闭合（RC）；氯化物盐形成（CSF）；其中之一：硫化物处理（ST）；二甲基二硫脲酸盐处理（DT）；碳酸盐处理（CT）；乙二胺四乙酸处理（EDTAT）；有机萃取（OE）；和重结晶（RX）。本发明还涉及所得到的（高纯度）化合物、包含它们的组合物（例如片剂、胶囊）以及它们在灭活病原体、医疗治疗和诊断等方法中的使用，例如用于tau病理、阿尔茨海默病（AD）、皮肤癌、黑色素瘤、病毒性疾病、细菌性疾病或原虫性疾病。
• INHIBITORS OF PROTEIN AGGREGATION
  申请人：Wischik Claude Michel

  公开号：US20090209526A1

  公开（公告）日：2009-08-20

  The invention relates generally to the use of diaminophenothiazine compounds to inhibit or reverse the aggregation of synuclein, and for their use in the manufacture of medicaments for this purpose (e.g. for the treatment of Parkinson's Disease). Also provided are related methods of detecting or labelling of aggregated synuclein.

  本发明通常涉及使用二氨基苯并噻嗪化合物来抑制或逆转突触核蛋白聚集，并将其用于制造用于此目的的药物（例如用于治疗帕金森病）。还提供了相关的检测或标记聚集的突触核蛋白的方法。
• Thioninium compounds and their use
  申请人：WisTa Laboratories Ltd.

  公开号：EP2853293B1

  公开（公告）日：2017-11-22
• THIONINIUM COMPOUNDS AND THEIR USE
  申请人：Wista Laboratories Ltd.

  公开号：EP2001556B1

  公开（公告）日：2014-10-01
• US7737138B2
  申请人：——

  公开号：US7737138B2

  公开（公告）日：2010-06-15