3-methyl-2-amino-5-dimethylaminophenylthiosulfonic acid | 479410-64-5

• 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: 3-methyl-2-amino-5-dimethylaminophenylthiosulfonic acid
• 英文别名: 2-hydroxysulfonothioyl-4-N,4-N,6-trimethylbenzene-1,4-diamine
• CAS: 479410-64-5
• 化学式: C₉H₁₄N₂O₂S₂
• 分子量: 246.354
• InChiKey: IYSPMPHJEANHPL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  107
• 氢给体数：
  2
• 氢受体数：
  5

文献信息

• [EN] METHODS OF CHEMICAL SYNTHESIS OF DIAMINOPHENOTHIAZINIUM COMPOUNDS INVOLVING THE USE OF PERSULFATE OXIDANTS<br/>[FR] PROCÉDÉS DE SYNTHÈSE CHIMIQUE ET DE COMPOSÉS DE DIAMINOPHÉNOTHIAZINIUM IMPLIQUANT L'UTILISATION D'OXYDANTS DE PERSULFATE
  申请人：WISTA LAB LTD

  公开号：WO2010130977A1

  公开（公告）日：2010-11-18

  This invention pertains generally to the field of chemical synthesis and purification, and more specifically to methods of synthesizing and purifying certain 3,7-diamino- phenothiazin-5-ium compounds (referred to herein as "diaminophenothiazinium compounds") including Methylthioninium Chloride (MTC) (also known as Methylene Blue). In one embodiment, the method comprises the steps of, in order: a thiosulfonic acid formation (TSAF) as illustrated below, wherein the reaction is carried out in the presence of a thiosulfate and an oxidizing agent that is or comprises persulfate an oxidative coupling (OC); and a ring closure (RC). The resulting compounds and compositions comprising them (e.g., tablets, capsules) are useful in methods of medical treatment and diagnosis, etc., for example, tauopathies, or Alzheimer's disease (AD).

  这项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（以下简称为"二氨基苯并噻嗪化合物"），包括氯化甲硫蓝（MTC）（又称亚甲蓝）。在一种实施例中，该方法包括按顺序进行以下步骤：如下图所示的硫代磺酸形成（TSAF）步骤，其中在硫代硫酸盐和氧化剂的存在下进行反应，该氧化剂是或包含过硫酸盐；氧化偶联（OC）；和环闭合（RC）。所得的化合物和包含它们的组合物（例如，片剂、胶囊）在医疗治疗和诊断等方法中具有用途，例如对于tau病变或阿尔茨海默病（AD）。
• METHODS OF CHEMICAL SYNTHESIS OF DIAMINOPHENOTHIAZINIUM COMPOUNDS INVOLVING THE USE OF PERSULFATE OXIDANTS
  申请人：Wista Laboratories Ltd.

  公开号：EP2430007B1

  公开（公告）日：2014-02-12
• [EN] COMPOUNDS METHOD AND USE<br/>[FR] COMPOSÉS, PROCÉDÉ ET UTILISATION
  申请人：PHARMALUCIA LTD

  公开号：WO2009047534A2

  公开（公告）日：2009-04-16

  The present invention relates to compounds of Formula 4 and to antimicrobial compounds and antimicrobial compositions based on the compounds of Formula 4: wherein: X comprises sulphur or selenium; Y comprises a pharmaceutically acceptable anion; R1 and R9 are each independently hydrogen, optionally substituted alkyl, optionally substituted alkoxyl, optionally substituted amine or halogen; and R3a, R3b, R7a and R7b are each independently H or optionally substituted alkyl with the proviso that at least one of R3a or R3b and/or R7a or R7b together with the nitrogen atoms to which they are attached form an optionally substituted, optionally saturated 6 or 7-membered ring with R2 or R4 and/or R6 or R8 respectively; and R2, R4, R6, and R8 are each independently, hydrogen, optionally substituted alkyl, optionally substituted alkoxyl, or halogen, so long as at least one of R2, R4, R6 or R8 together with the atoms to which they are attached form an optionally substituted, optionally saturated 6 or 7-membered ring with R3a or R3b and/or R7b or R7a respectively; and with the proviso that the compounds are not of Formula 3a or 3b.