N-Phenyl-N'-(6-methyl-2-benzothiazolyl)harnstoff | 108718-01-0

• 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: N-Phenyl-N'-(6-methyl-2-benzothiazolyl)harnstoff
• 英文别名: N-phenyl-N'-(6-methylbenzothiazol-2-yl)urea；1-(6-methyl-benzothiazol-2-yl)-3-phenyl-urea；N-(6-methyl-benzothiazol-2-yl)-N'-phenyl-urea；N-(6-Methyl-benzothiazol-2-yl)-N'-phenyl-harnstoff；1-(6-methyl-1,3-benzothiazol-2-yl)-3-phenylurea
• CAS: 108718-01-0
• 化学式: C₁₅H₁₃N₃OS
• mdl: MFCD01338360
• 分子量: 283.354
• InChiKey: XZDBPQJEWAFHAW-UHFFFAOYSA-N

物化性质

• 熔点：
  244-246 °C(Solv: N,N-dimethylformamide (68-12-2); water (7732-18-5))
• 密度：
  1.396±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  82.3
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  1-(6-methylbenzo[d]thiazol-2-yl)-3-phenylthiourea 在 盐酸 、 lead(II) oxide 作用下， 以 苯 为溶剂， 生成 N-Phenyl-N'-(6-methyl-2-benzothiazolyl)harnstoff
  参考文献：
  名称：

  Joshua,C.P., Journal of the Indian Chemical Society, 1960, vol. 37, p. 621 - 625

  摘要：

  DOI：

文献信息

• Diaryl Ureas as CB1 Antagonists
  申请人：Hutchison Alan J.

  公开号：US20090239841A1

  公开（公告）日：2009-09-24

  Compounds of Formula I are provided. In which the variables are as described herein. Such compounds may be used to modulate CB1 activity in vivo or in vitro, and are particularly useful in the treatment of conditions responsive to CB1 modulation in humans, domesticated companion animals and livestock animals, including appetite disorders, obesity and addictive disorders. Pharmaceutical compositions and methods for using them to treat such disorders are provided, as are methods for using such ligands for receptor localization studies and various in vitro assays.

  提供式I的化合物，其中变量如本文所述。这些化合物可用于体内或体外调节CB1活性，并且在治疗对CB1调节敏感的人类、家养伴侣动物和家畜动物的食欲障碍、肥胖和成瘾障碍方面特别有用。提供了用于治疗这些障碍的制药组合物和方法，以及用于受体定位研究和各种体外测定的配体的使用方法。
• CCLXXXII.—The unsaturation and tautomeric mobility of heterocyclic compounds. Part III. The effect of substituents on the mobility of the aminobenzthiazole system and on the bromination of s-diarylthiocarbamides. The ultra-violet absorption of mobile and of static semicyclic amidines of the benzthiazole group
  作者：Robert Fergus Hunter、John William Thomas Jones

  DOI：10.1039/jr9300002190

  日期：——
• Microwave Promoted Environmentally Benign Synthesis of 2-Aminobenzothiazoles and Their Urea Derivatives
  作者：Zheng Li、Shuxiu Xiao、Guoqiang Tian、Anguo Zhu、Xu Feng、Jing Liu

  DOI：10.1080/10426500701578506

  日期：2008.4.18

  2-Aminobenzothiazoles were efficiently synthesized using stable, crystalline tetrabutylammonium tribromide instead of toxic, corrosive liquid bromine under solvent-free and microwave irradiation condition. Furthermore, benzothiazol-2-ylureas were synthesized in good to high yield by reactions of 2-aminobenzothiazoles with N-trichloroacetanilides, which were used as a substitute for toxic, unstable isocyanates, under microwave irradiation condition. This protocol has advantages of no utilization of hazardous chemicals, rapid reaction rate, high yield, and easy work-up procedure.
• Kaneko et al., Yakugaku Zasshi/Journal of the Pharmaceutical Society of Japan, 1955, vol. 75, p. 298,300
  作者：Kaneko et al.

  DOI：——

  日期：——
• Joshua,C.P., Journal of the Indian Chemical Society, 1960, vol. 37, p. 621 - 625
  作者：Joshua,C.P.

  DOI：——

  日期：——