1-(3,7-diaminophenothiazin-10-yl)-ethanone | 50995-93-2

• 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: 1-(3,7-diaminophenothiazin-10-yl)-ethanone
• 英文别名: 10-acetyl-10H-phenothiazine-3,7-diamine；1-(3,7-Diamino-phenothiazin-10-yl)-ethanone；1-(3,7-diaminophenothiazin-10-yl)ethanone
• CAS: 50995-93-2
• 化学式: C₁₄H₁₃N₃OS
• 分子量: 271.343
• InChiKey: FCOLCILVZULVQA-UHFFFAOYSA-N

物化性质

• 沸点：
  657.7±55.0 °C(Predicted)
• 密度：
  1.410±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  19
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  97.6
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-(3,7-diaminophenothiazin-10-yl)-ethanone 在 盐酸 作用下， 以 水 为溶剂， 反应 0.5h， 生成 3,7-diaminophenothiazine bis(hydrogen chloride)
  参考文献：
  名称：

  Therapeutic use of diaminophenothiazines

  摘要：

  本发明一般涉及用于治疗或预防疾病的方法和材料，例如认知障碍，使用二氨基苯噻嗪。具体而言，它涉及具有优化药代动力学性质的治疗方法，以及旨在改善二氨基苯噻嗪相对认知或中枢神经系统益处的剂型，例如与造血影响相比。

  公开号：

  US09149481B2
• 作为产物：
  描述：

  吩噻嗪 在 吡啶 、 tin(II) chloride dihdyrate 、 溶剂黄146 、 sodium nitrite 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 反应 26.17h， 生成 1-(3,7-diaminophenothiazin-10-yl)-ethanone
  参考文献：
  名称：

  Therapeutic use of diaminophenothiazines

  摘要：

  本发明一般涉及用于治疗或预防疾病的方法和材料，例如认知障碍，使用二氨基苯噻嗪。具体而言，它涉及具有优化药代动力学性质的治疗方法，以及旨在改善二氨基苯噻嗪相对认知或中枢神经系统益处的剂型，例如与造血影响相比。

  公开号：

  US09149481B2

文献信息

• 3,7-DIAMINO-10H-PHENOTHIAZINE SALTS AND THEIR USE
  申请人：Wischik Claude Michel

  公开号：US20090054419A1

  公开（公告）日：2009-02-26

  This invention pertains generally to the field of phenothiazine compounds, and more particularly to certain stably reduced phenothiazine compounds, specifically, certain 3,7 diamino-10H-phenothiazine (DAPTZ) compounds of the following formula wherein: each of R 1 and R 9 is independently selected from: —H; C 1-4 alkyl; C 2-4 alkenyl; and halogenated C 1-4 alkyl; each of R 3NA and R 3NB is independently selected from: —H; C 1-4 alkyl; C 2-4 alkenyl; and halogenated C 1-4 alkyl; each of R 7NA and R 7NB is independently selected from: —H; C 1-4 alkyl; C 2-4 alkenyl; and halogenated C 1-4 alkyl; each of HX 1 and HX 2 is independently a protic acid; and pharmaceutically acceptable salts, solvates, and hydrates thereof. These compounds are useful as drugs, for example, in the treatment of tauopathies, such as Alzheimer's disease, and also as prodrugs for the corresponding oxidized thioninium drugs (for example, methythioninium chloride, MTC).

  本发明涉及苯并噻嗪化合物领域，更具体地涉及某些稳定还原的苯并噻嗪化合物，具体而言，涉及以下式子的某些3,7-二氨基-10H-苯并噻嗪(DAPTZ)化合物：其中：R1和R9各自独立地选自：—H；C1-4烷基；C2-4烯基；和卤代C1-4烷基；R3NA和R3NB各自独立地选自：—H；C1-4烷基；C2-4烯基；和卤代C1-4烷基；R7NA和R7NB各自独立地选自：—H；C1-4烷基；C2-4烯基；和卤代C1-4烷基；HX1和HX2各自独立地为质子酸；以及其药学上可接受的盐、溶剂化合物和水合物。这些化合物在药物方面具有用途，例如在治疗tau蛋白病中，如阿尔茨海默病，并且作为相应氧化噻唑铵药物（例如甲基噻唑铵盐，MTC）的前药。
• 3,7-diamino-10H-phenothiazine salts and their use
  申请人：Wista Laboratories Ltd.

  公开号：US07888350B2

  公开（公告）日：2011-02-15

  This invention pertains generally to the field of phenothiazine compounds, and more particularly to certain stably reduced phenothiazine compounds, specifically, certain 3,7 diamino-10H-phenothiazine (DAPTZ) compounds of the following formula wherein: each of R1 and R9 is independently selected from: —H; C1-4alkyl; C2-4alkenyl; and halogenated C1-4alkyl; each of R3NA and R3NB is independently selected from: —H; C1-4alkyl; C2-4alkenyl; and halogenated C1-4alkyl; each of R7NA and R7NB is independently selected from: —H; C1-4alkyl; C2-4alkenyl; and halogenated C1-4alkyl; each of HX1 and HX2 is independently a protic acid; and pharmaceutically acceptable salts, solvates, and hydrates thereof. These compounds are useful as drugs, for example, in the treatment of tauopathies, such as Alzheimer's disease, and also as prodrugs for the corresponding oxidized thioninium drugs (for example, methythioninium chloride, MTC).

  本发明涉及苯并噻嗪化合物领域，更具体地涉及某些稳定还原的苯并噻嗪化合物，具体来说，涉及以下公式的某些3,7-二氨基-10H-苯并噻嗪（DAPTZ）化合物： 其中，R1和R9各自独立选择自：—H；C1-4烷基；C2-4烯基；和卤代C1-4烷基；R3NA和R3NB各自独立选择自：—H；C1-4烷基；C2-4烯基；和卤代C1-4烷基；R7NA和R7NB各自独立选择自：—H；C1-4烷基；C2-4烯基；和卤代C1-4烷基；HX1和HX2各自独立为质子酸；以及其药学上可接受的盐、溶剂和水合物。这些化合物可用作药物，例如，用于治疗tau病理，如阿尔茨海默病，同时也可作为相应氧化硫铵药物（例如甲硫铵盐，MTC）的前药。
• 3,7-DIAMINO-10H-PHINOTHIAZINE SALTS AND THEIR USE
  申请人：WISCHIK Claude Michel

  公开号：US20110118242A1

  公开（公告）日：2011-05-19

  This invention pertains generally to the field of phenothiazine compounds, and more particularly to certain stably reduced phenothiazine compounds, specifically, certain 3,7-diamino-10H-phenothiazine (DAPTZ) compounds of the following formula: wherein: each of R 1 and R 9 is independently selected from: —H; C 1-4 alkyl; C 2-4 alkenyl; and halogenated C 1-4 alkyl; each of R 3NA and R 3NB is independently selected from: —H; C 1-4 alkyl; C 2-4 alkenyl; and halogenated C 1-4 alkyl; each of R 7NA and R 7NB is independently selected from: —H; C 1-4 alkyl; C 2-4 alkenyl; and halogenated C 1-4 alkyl; each of HX 1 and HX 2 is independently a protic acid; and pharmaceutically acceptable salts, solvates, and hydrates thereof. These compounds are useful as drugs, for example, in the treatment of tauopathies, such as Alzheimer's disease, and also as prodrugs for the corresponding oxidized thioninium drugs (for example, methylthioninium chloride, MTC).

  本发明涉及苯并噻嗪化合物领域，更具体地涉及某些稳定还原的苯并噻嗪化合物，具体而言，涉及以下式子的某些3,7-二氨基-10H-苯并噻嗪（DAPTZ）化合物： 其中：R1和R9各自独立地选择自：—H；C1-4烷基；C2-4烯基；和卤代的C1-4烷基；R3NA和R3NB各自独立地选择自：—H；C1-4烷基；C2-4烯基；和卤代的C1-4烷基；R7NA和R7NB各自独立地选择自：—H；C1-4烷基；C2-4烯基；和卤代的C1-4烷基；HX1和HX2各自独立地是质子酸；以及其药学上可接受的盐、溶剂化合物和水合物。这些化合物可用作药物，例如，用于治疗tau蛋白病，如阿尔茨海默病，并且还可作为相应氧化硫鎓药物（例如甲基硫鎓盐酸盐，MTC）的前药。
• PHENOTHIAZINE DIAMINIUM SALTS AND THEIR USE
  申请人：WisTa Laboratories Ltd.

  公开号：US20160237048A1

  公开（公告）日：2016-08-18

  Disclosed are compounds of general formula (I): and pharmaceutically acceptable salts thereof, formulations, methods and uses in, for example, the treatment of disease.

  公开的是一般式（I）的化合物及其药学上可接受的盐、配方、方法和用途，例如用于治疗疾病。
• THERAPEUTIC USE OF DIAMINOPHENOTHIAZINES
  申请人：WisTa Laboratories Ltd.

  公开号：US20160030444A1

  公开（公告）日：2016-02-04

  Described are methods and materials for use in the treatment or prophylaxis of diseases, for example cognitive disorders, using diaminophenothiazines. In particular it relates to treatments having optimised pharmacokinetic properties, and dosage forms are intended to improve the relative cognitive or CNS benefits of the diaminophenothiazines, for instance compared to haematological effects.

  本文描述了使用二氨基苯并噻唑类化合物治疗或预防疾病的方法和材料，例如认知障碍。特别是与血液学效应相比，旨在改善二氨基苯并噻唑类化合物的相对认知或中枢神经系统益处的治疗方案的药代动力学性质优化和剂型。