3,4-二甲氧基苄脒 | 69783-31-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 3,4-二甲氧基苄脒
• 英文名称: 3,4-dimethoxy-benzamidine
• 英文别名: 3,4-Dimethoxy-benzamidin；Veratramidin；3.4-dimethoxybenzamidine；3,4-dimethoxybenzenecarboximidamide
• CAS: 69783-31-9
• 化学式: C₉H₁₂N₂O₂
• mdl: MFCD05662982
• 分子量: 180.206
• InChiKey: GRNBGCVJIQHIKG-UHFFFAOYSA-N

物化性质

• 熔点：
  110-120 °C
• 沸点：
  290.4±50.0 °C(Predicted)
• 密度：
  1.17±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.222
• 拓扑面积：
  68.3
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 海关编码：
  2925290090

反应信息

• 作为反应物：
  描述：

  3,4-二甲氧基苄脒 在 ammonium hydroxide 、 氯化亚砜 、 氯化铵 作用下， 反应 0.67h， 生成 5-(chloromethyl)-2-(3,4-dimethoxyphenyl)-1H-imidazole
  参考文献：
  名称：

  2-Phenyl-4-(aminomethyl)imidazoles as Potential Antipsychotic Agents. Synthesis and Dopamine D2 Receptor Binding

  摘要：

  A series of 2-phenyl-4-(aminomethyl)imidazoles were designed as conformationally restricted analogs of the dopamine D-2 selective benzamide antipsychotics. The title compounds were synthesized and tested for blockade of[H-3]YM-09151 binding in cloned African green monkey dopamine D-2 receptor preparations. The binding affinity data thus obtained were compared against that of the benzamides and a previously described series of 2-phenyl-5-(aminomethyl)-pyrroles.

  DOI：

  10.1021/jm00012a026
• 作为产物：
  描述：

  3,4-二甲氧基苄腈 在 lithium hexamethyldisilazane 作用下， 以 乙醚 为溶剂， 反应 2.0h， 生成 3,4-二甲氧基苄脒
  参考文献：
  名称：

  2-Phenyl-4-(aminomethyl)imidazoles as Potential Antipsychotic Agents. Synthesis and Dopamine D2 Receptor Binding

  摘要：

  A series of 2-phenyl-4-(aminomethyl)imidazoles were designed as conformationally restricted analogs of the dopamine D-2 selective benzamide antipsychotics. The title compounds were synthesized and tested for blockade of[H-3]YM-09151 binding in cloned African green monkey dopamine D-2 receptor preparations. The binding affinity data thus obtained were compared against that of the benzamides and a previously described series of 2-phenyl-5-(aminomethyl)-pyrroles.

  DOI：

  10.1021/jm00012a026

文献信息

• Pyridine and pyrimidine derivatives
  申请人：——

  公开号：US20030216382A1

  公开（公告）日：2003-11-20

  The present invention provides compounds of formula (I) 1 wherein R 1 , R 2 , R 3 , R 4 and X are as defined in the specification, and pharmaceutically acceptable salts thereof. The compounds are useful for the treatment and/or prophylaxis of diseases which are associated with DPP IV, such as diabetes, particularly non-insulin dependent diabetes mellitus, and impaired glucose tolerance.

  本发明提供了化合物的公式（I）1，其中R1、R2、R3、R4和X如规范中所定义，以及其药用盐。这些化合物可用于治疗和/或预防与DPP IV相关的疾病，如糖尿病，特别是非胰岛素依赖型糖尿病和糖耐量受损。
• 10.1007/s00044-024-03263-7
  作者：Kanhed, Ashish M.、Vora, Amisha、Thakkar, Ami、Rudramurthy, Gudepalya Renukaiah、Shandil, Radha Krishan、Harisha, Rajappa、Singh, Mayas、Narayanan, Shridhar

  DOI：10.1007/s00044-024-03263-7

  日期：——

  necessitating the exploration of new antiviral drugs. In this study, we present the design and synthesis of diphenyl-1H-imidazole derivatives as a potential lead series for inhibiting the SARS-CoV-2 3CLpro enzyme. The synthesized molecules underwent screening for inhibiting the SARS-CoV-2 3CLpro enzyme at a concentration of 20 µM. Compounds 6–14 exhibited inhibition ranging from 88 to 99%. Further

  由新型冠状病毒 SARS-CoV-2 引发的当前流行的 COVID-19 大流行是十年来主要的全球健康危机，夺去了数百万人的生命，并对社会造成了深刻的破坏。尽管针对 COVID-19 的疫苗开发迅速，但形势仍然充满挑战，需要探索新的抗病毒药物。在这项研究中，我们提出了二苯基-1H-咪唑衍生物的设计和合成，作为抑制 SARS-CoV-2 3CL pro 酶的潜在先导系列。合成的分子在 20 µM 浓度下进行了抑制 SARS-CoV-2 3CL pro 酶的筛选。化合物 6-14 的抑制范围为 88% 至 99%。进行了进一步的评估，以评估这些化合物针对祖先 SARS-CoV-2 毒株和病毒感染细胞中的 Delta 变体的抗 SARS-CoV-2 活性。 4-(4-氯苯基)-2-(3,4-二甲氧基苯基)-1H-咪唑(9)、4-(2,4-二氯苯基)-2-(3,4-二甲氧基苯基)-1H-等化合物咪唑
• PROCESS FOR PREPARING A SUBSTITUTED OR AN UNSUBSTITUTED 4(5)-($g(v)-AMINOALKYL)IMIDAZOLE
  申请人：Cedona Pharmaceuticals B.V.

  公开号：EP0415948A1

  公开（公告）日：1991-03-13
• NOVEL PYRIDIN- AND PYRIMIDIN-DERIVATIVES
  申请人：F. Hoffmann-La Roche AG

  公开号：EP1476435A1

  公开（公告）日：2004-11-17
• US5190589A
  申请人：——

  公开号：US5190589A

  公开（公告）日：1993-03-02