5-异氰基-4-甲基-苯基-1,3-噻唑 | 852180-46-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 5-异氰基-4-甲基-苯基-1,3-噻唑
• 英文名称: 5-isocyanato-4-methyl-2-phenylthiazole
• 英文别名: 5-Isocyanato-4-methyl-2-phenyl-1,3-thiazole
• CAS: 852180-46-2
• 化学式: C₁₁H₈N₂OS
• mdl: MFCD07368510
• 分子量: 216.263
• InChiKey: FWBAVPZUNSTTRF-UHFFFAOYSA-N

物化性质

• 熔点：
  82 °C

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  70.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  5-异氰基-4-甲基-苯基-1,3-噻唑 、 (R)-氨基肉碱 在 N,N-二异丙基乙胺 作用下， 以 甲醇 为溶剂， 反应 18.0h， 以12%的产率得到(R)-3-(3-(4-methyl-2-phenylthiazol-5-yl)ureido)-4-(trimethylammonio)butanoate
  参考文献：
  名称：

  WO2008/109991

  摘要：

  公开号：

文献信息

• INHIBITORS OF CARNITINE PALMITOYLTRANSFERASE AND TREATING CANCER
  申请人：Pauls Heinz W.

  公开号：US20100105900A1

  公开（公告）日：2010-04-29

  A CPT inhibitor compound is represented by Structural Formula (I) or a pharmaceutically acceptable salt thereof: or a pharmaceutically acceptable salt thereof. A pharmaceutical composition comprises a compound represented by Structural Formula (I) or a pharmaceutically acceptable salt thereof. A method of treating a subject having cancer comprises administering to the subject a therapeutically effective amount of a compound represented by Structural Formula (I) or a pharmaceutically acceptable salt thereof.

  一种CPT抑制剂化合物由结构式(I)或其药学上可接受的盐所代表：或其药学上可接受的盐。一种制药组合物包括由结构式(I)或其药学上可接受的盐所代表的化合物。一种治疗患有癌症的受试者的方法包括向该受试者施用由结构式(I)或其药学上可接受的盐所代表的治疗有效量的化合物。
• Inhibitors of carnitine palmitoyltransferase and treating cancer
  申请人：Pauls Heinz W.

  公开号：US08410150B2

  公开（公告）日：2013-04-02

  A CPT inhibitor compound is represented by Structural Formula (I) or a pharmaceutically acceptable salt thereof: or a pharmaceutically acceptable salt thereof. A pharmaceutical composition comprises a compound represented by Structural Formula (I) or a pharmaceutically acceptable salt thereof. A method of treating a subject having cancer comprises administering to the subject a therapeutically effective amount of a compound represented by Structural Formula (I) or a pharmaceutically acceptable salt thereof.

  一种CPT抑制剂化合物由结构式（I）或其药学上可接受的盐表示：或其药学上可接受的盐。一种制药组合物包括一种由结构式（I）或其药学上可接受的盐表示的化合物。一种治疗癌症患者的方法包括向患者施用一种由结构式（I）或其药学上可接受的盐表示的治疗有效量的化合物。
• THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES
  申请人：GRIFFIOEN Gerard

  公开号：US20090054410A1

  公开（公告）日：2009-02-26

  This invention provides specifically substituted 1,2,4-thiadiazole derivatives for use in the treatment of an α-synucleopathy such as Parkinson's disease, diffuse Lewy body disease, traumatic brain injury, amyotrophic lateral sclerosis, Niemann-Pick disease, Hallervorden-Spatz syndrome, Down syndrome, neuroaxonal dystrophy, multiple system atrophy and Alzheimer's disease. This invention also provides various methods for producing such substituted 1,2,4-thiadiazole derivatives.
• US8410150B2
  申请人：——

  公开号：US8410150B2

  公开（公告）日：2013-04-02
• US8541406B2
  申请人：——

  公开号：US8541406B2

  公开（公告）日：2013-09-24