phenyl (6-methoxybenzo[d]thiazol-2-yl)carbamate | 84427-30-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻唑类
• 英文名称: phenyl (6-methoxybenzo[d]thiazol-2-yl)carbamate
• 英文别名: phenyl N-(6-methoxy-1,3-benzothiazol-2-yl)carbamate
• CAS: 84427-30-5
• 化学式: C₁₅H₁₂N₂O₃S
• mdl: MFCD02959954
• 分子量: 300.338
• InChiKey: CVBDOCQXYLTRHB-UHFFFAOYSA-N

物化性质

• 密度：
  1.395±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  88.7
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  phenyl (6-methoxybenzo[d]thiazol-2-yl)carbamate 在 O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 7.0h， 生成 N-(2-chlorobenzyl)-4-(3-(6-methoxybenzo[d]thiazol-2-yl)ureido)benzamide
  参考文献：
  名称：

  Discovery of Hydroxybenzothiazole Urea Compounds as Multitargeted Agents Suppressing Major Cytotoxic Mechanisms in Neurodegenerative Diseases

  摘要：

  DOI：

  10.1021/acschemneuro.1c00475
• 作为产物：
  描述：

  对甲氧基苯基硫脲 在 吡啶 、 溴 作用下， 以 二氯甲烷 、 氯仿 为溶剂， 反应 6.0h， 生成 phenyl (6-methoxybenzo[d]thiazol-2-yl)carbamate
  参考文献：
  名称：

  Synthesis of substituted benzo[d]thiazol-2-ylcarbamates as potential anticonvulsants

  摘要：

  A series of substituted benzo[d]thiazol-2-ylcarbamates 4a-g and 5a-g were synthesized and evaluated for anticonvulsant activity. The structures of the synthesized compounds were confirmed on the basis of their physical and spectral data. The compounds were evaluated for anticonvulsant activity using PTZ-induced convulsion and maximal electroshock models. The target compounds have shown significant activity in these models.

  DOI：

  10.1007/s00044-012-0434-y

文献信息

• Design and synthesis of conformationally constraint Dyrk1A inhibitors by creating an intramolecular H-bond involving a benzothiazole core
  作者：Mohamed Salah、Mohammad Abdel-Halim、Matthias Engel

  DOI：10.1039/c8md00142a

  日期：——

  We present the development of conformationally pre-organised Dyrk1A inhibitors based on the hydroxybenzothiazole urea scaffold.

  我们展示了基于羟基苯并噻唑脲支架的构象预组织的Dyrk1A抑制剂的开发。
• Synthesis of N-aryl and N-arylcarbamoylamino derivatives of 1,3-diazinane-5-carboxamide and their activity against glioblastoma LN-229 cell line
  作者：Rebecca J. Hron、Branko S. Jursic、Donna M. Neumann

  DOI：10.1016/j.bmc.2016.09.074

  日期：2016.12

  Six structural motifs based on the initial (lead) structure of merbarone were designed, prepared, and tested against the glioblastoma LN-229 cell line. Three different structural moieties were modified in the search for optimal glioblastoma activity: the 1,3-diazinane moiety, the aryl moiety, and the heteroatom linker. Calculated molecular descriptors such as lipophilicity (ClogP), acidic strength (calculated pK(a)), and polar surface area (PSA) were used to design a diverse structural library of these compounds. From six different structural motifs and 136 compounds, a handful of examples with moderate (100 mu g/ml), good (10 mu g/ml) and excellent (1 mu g/ml) glioblastoma activity were elucidated. (C) 2016 Published by Elsevier Ltd.