4,5-二对甲苯噻唑-2-胺 | 102026-45-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 4,5-二对甲苯噻唑-2-胺
• 英文名称: 4,5-bis(p-tolyl)thiazol-2-ylamine
• 英文别名: 4,5-di-p-tolyl-thiazol-2-ylamine；4,5-Di-p-tolyl-thiazol-2-ylamine；4,5-bis(4-methylphenyl)-1,3-thiazol-2-amine
• CAS: 102026-45-9
• 化学式: C₁₇H₁₆N₂S
• mdl: MFCD03655002
• 分子量: 280.393
• InChiKey: DLANDBNUPHBVOL-UHFFFAOYSA-N

物化性质

• 熔点：
  167 °C
• 沸点：
  439.1±14.0 °C(Predicted)
• 密度：
  1.180±0.06 g/cm3(Predicted)
• 溶解度：
  0.5 [ug/mL]

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.117
• 拓扑面积：
  67.2
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2934100090

反应信息

• 作为反应物：
  描述：

  4,5-二对甲苯噻唑-2-胺 在 (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate 、 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 、 乙腈 为溶剂， 反应 2.0h， 生成 N-[4,5-bis(p-tolyl)thiazol-2-yl]piperidine-4-carboxamide
  参考文献：
  名称：

  Benzylpiperidine-Linked Diarylthiazoles as Potential Anti-Alzheimer’s Agents: Synthesis and Biological Evaluation

  摘要：

  A novel series of hybrid molecules were designed and synthesized by fusing the pharmacophoric features of cholinesterase inhibitor donepezil and diarylthiazole as potential multitarget-directed ligands for the treatment of Alzheimer's disease (AD). The compounds showed significant in vitro anticholinesterase (anti-ChE) activity, the most potent compound (44) among them showing the highest activity (IC50 value of 0.30 +/- 0.01 mu M) for AChE and (1.84 +/- 0.03 mu M) for BuChE. Compound 44 showed mixed inhibition of AChE in the enzyme kinetic studies. Some compounds exhibited moderate to high inhibition of AChE-induced A beta(1-42) aggregation and noticeable in vitro antioxidant and antiapoptotic properties. Compound 44 showed significant in vivo anti-ChE and antioxidant activities. Furthermore, compound 44 demonstrated in vivo neuroprotection by decreasing A beta(1-42)-induced toxicity by attenuating abnormal levels of A beta(1-42), p-Tau, cleaved caspase-3, and cleaved PARP proteins. Compound 44 exhibited good oral absorption and was well tolerated up to 2000 mg/kg, po, dose without showing toxic effects.

  DOI：

  10.1021/acs.jmedchem.6b00426
• 作为产物：
  描述：

  1,2-di-p-tolyl-ethanone 在 溴 、 溶剂黄146 作用下， 生成 4,5-二对甲苯噻唑-2-胺
  参考文献：
  名称：

  Okamiya, Nippon Kagaku Zasshi, 1959, vol. 80, p. 783

  摘要：

  DOI：