2,4,5-三甲基苯并噻唑 | 401936-07-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻唑类
• 中文名称: 2,4,5-三甲基苯并噻唑
• 中文别名: 2,4,5-三甲基苯并[D]噻唑
• 英文名称: 2,4,5-trimethyl-benzothiazole
• 英文别名: 2,4,5-Trimethyl-benzothiazol；2,4,5-Trimethylbenzo[d]thiazole；2,4,5-trimethyl-1,3-benzothiazole
• CAS: 401936-07-0
• 化学式: C₁₀H₁₁NS
• mdl: MFCD00643246
• 分子量: 177.27
• InChiKey: XUKYAGRJUUZOCZ-UHFFFAOYSA-N

物化性质

• 熔点：
  -5-54 °C(Solv: ligroine (8032-32-4))
• 沸点：
  149-150 °C(Press: 19 Torr)
• 密度：
  1.143±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  41.1
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2934200090

反应信息

• 作为产物：
  描述：

  N-(2,3-二甲基苯基)乙酰胺 在 tetraphosphorus decasulfide 、 potassium hexacyanoferrate(III) 作用下， 生成 2,4,5-三甲基苯并噻唑
  参考文献：
  名称：

  Lewkoew et al., Zhurnal Obshchei Khimii, 1952, vol. 22, p. 879,883, 884; engl. Ausg. S. 939, 942, 943

  摘要：

  DOI：

文献信息

• [EN] ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS<br/>[FR] ANALOGUES POUR TRAITER OU PRÉVENIR LES INFECTIONS À FLAVIVIRUS
  申请人：VERTEX PHARMA

  公开号：WO2011119870A1

  公开（公告）日：2011-09-29

  Compounds represented by formula (I) : or pharmaceutically acceptable salts thereof, wherein A, B, B', X, Y, R1, R2, R2', R3, R3', R4, R4', R5, R5'm, n, or p are as defined herein, are useful for treating flaviviridae viral infections.

  公式(I)所代表的化合物或其药学上可接受的盐，其中A、B、B'、X、Y、R1、R2、R2'、R3、R3'、R4、R4'、R5、R5'、m、n或p的定义如本文所述，可用于治疗黄病毒科病毒感染。
• AMINO-BENZAZOLES AS P2Y1 RECEPTOR INHIBITORS WITH PYRIDINE RING AND HETEROCYCLIC COMPONENTS
  申请人：Herpin Timothy F.

  公开号：US20080275090A1

  公开（公告）日：2008-11-06

  The present invention provides novel amino-benzazoles and analogues thereof, which are selective inhibitors of the human P2Y 1 receptor. The invention also provides for various pharmaceutical compositions of the same and methods for treating diseases responsive to modulation of P2Y 1 receptor activity.

  本发明提供了新型的氨基苯并咪唑及其类似物，它们是选择性抑制人类P2Y1受体的抑制剂。本发明还提供了各种药物组合物和方法，用于治疗对P2Y1受体活性调节敏感的疾病。
• Compound and pharmaceutical composition for neuropsychological disorder or malignant tumor
  申请人：KYOTO UNIVERSITY

  公开号：US10017524B2

  公开（公告）日：2018-07-10

  The present invention provides a compound and a pharmaceutical composition for neuropsychological disorders or malignant tumors, the use of the compound and the pharmaceutical composition, or a method for preventing, improving, inhibiting the development of, and/or treating neuropsychological disorders or malignant tumors with the use of the compound and the pharmaceutical composition. One or more embodiments disclose a compound expressed by the following general formula (I) or (II) or a pharmaceutically acceptable salt of the compound:

  本发明提供了一种用于神经心理障碍或恶性肿瘤的化合物和药物组合物，该化合物和药物组合物的用途，或使用该化合物和药物组合物预防、改善、抑制神经心理障碍或恶性肿瘤的发展和/或治疗神经心理障碍或恶性肿瘤的方法。一个或多个实施方案公开了由以下通式(I)或(II)表示的化合物或该化合物的药学上可接受的盐：
• Amino-benzazoles as P2Y1 receptor inhibitors
  申请人：Bristol-Myers Squibb Company

  公开号：EP1706398B1

  公开（公告）日：2014-05-21
• Neurofibrillary labels
  申请人：Wischik Claude Michel

  公开号：US20100285605A1

  公开（公告）日：2010-11-11

  Disclosed are methods for determining the stage of neurofibrillary degeneration associated with a tauopathy in a subject believed to suffer from the disease, which methods comprise the steps of: (i) introducing into the subject a ligand capable of labelling aggregated paired helical filament (PHF) tau protein, (ii) determining the presence and\or amount of ligand bound to extracellular aggregated PHF tau in the medial temporal lobe of the brain of the subject, (iii) correlating the result of the determination made in (ii) with the extent of neurofibrillary degeneration in the subject. The methods can be used for pre-mortem diagnosis and staging of tauopathies such as Alzheimer's Disease. Preferred ligands include sulphonated-benzothiazole-like compounds and diaminophenothiazines. Novel ligands (e.g. sulphonated-benzothiazole-like compounds) are also provided. The method may also include the use of “blocking ligands” to block competing binding sites. In other aspects the invention provides in vitro methods for identifying ligands capable of labeling aggregated PHF tau protein, the methods comprising the steps of: (i) providing a first agent suspected of being capable of labeling aggregated PHF tau protein, (ii) contacting (a) a tau protein or a derivative thereof containing the tau core fragment bound to a solid phase so as to expose a high affinity tau capture site, with (b) a liquid phase tau protein or derivative thereof capable of binding to the solid phase tau protein or derivative, and (c) said selected first agent and (d) a second agent known to be tau-tau binding inhibitor, (iii) selecting first agent which fully or partially relieves the inhibition of binding of the liquid phase tau protein or derivative of (b) to the solid phase tau protein or derivative of (a) by the inhibitor (d). Ligands may also be tested to confirm that they are not themselves inhibitors.