1-(2,4,6-三甲氧基苄基)肼 | 887595-30-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 1-(2,4,6-三甲氧基苄基)肼
• 英文名称: [(2,4,6-Trimethoxyphenyl)methyl]hydrazine
• 英文别名: (2,4,6-trimethoxyphenyl)methylhydrazine
• CAS: 887595-30-4
• 化学式: C₁₀H₁₆N₂O₃
• 分子量: 212.25
• InChiKey: LSTYBIPOHXDWNU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  15
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  65.7
• 氢给体数：
  2
• 氢受体数：
  5

文献信息

• [EN] THIOSEMICARBAZATES AND USES THEREOF<br/>[FR] THIOSEMICARBAZATES ET LEURS UTILISATIONS
  申请人：FEINSTEIN INSTITUTES FOR MEDICAL RESEARCH

  公开号：WO2020227592A1

  公开（公告）日：2020-11-12

  Thioesters, thiocarbamates, thiocarbazates, semithiocarbazates, peptides, aza-amino acid conjugates, and azapeptides; and a chemoselective and site-specific functionalization protocol of protected thiocarbazates and semithiocarbazates are described. The protocol features the use of Mitsunobu reaction to alkylate specifically the nitrogen atom close to the acylthiol moiety with alcohols to produce protected mono-substituted thiocarbazates that can be stored for months, activated under mild conditions at low temperature using halonium reagents and integrated orthogonally to make substituted semicarbazides that can be used, e.g., as synthons in synthesis of aza-amino acid conjugates, azapeptides and other peptidomimetics. Methods for preparing and using ureases, carbazides, semicarbazides, beta-peptides, azapeptides, and other peptidomimetics and azapeptide conjugates, and uses of ureases, carbazides, semicarbazides, beta-peptides, azapeptides in drug discovery, diagnosis, inhibition, prevention and treatment of diseases are also described.

  巯酯，硫代氨基甲酸酯，硫代氨基甲酸酯，半硫代氨基甲酸酯，肽，氮代氨基酸共轭物和氮代肽；以及一种对受保护的硫代氨基甲酸酯和半硫代氨基甲酸酯进行化学选择性和位点特异性功能化的方法被描述。该方法采用三甲基脲反应特异性烷基化靠近酰硫醇基团的氮原子，使用醇生成可储存数月的受保护的单取代硫代氨基甲酸酯，在低温下使用卤化物试剂轻微条件下激活，并与其他基团正交集成以制备取代半氨基甲酸酰胺，例如，可用作氮代氨基酸共轭物，氮代肽和其他肽类模拟物的合成中间体。还描述了制备和使用尿酶，卡巴酰胺，半氨基甲酸酰胺，β-肽，氮代肽和其他肽类模拟物以及氮代肽共轭物的方法，以及尿酶，卡巴酰胺，半氨基甲酸酰胺，β-肽，氮代肽在药物发现，诊断，抑制，预防和治疗疾病中的用途。
• THIOSEMICARBAZATES AND USES THEREOF
  申请人：THE FEINSTEIN INSTITUTES FOR MEDICAL RESEARCH

  公开号：US20200354318A1

  公开（公告）日：2020-11-12

  Thioesters, thiocarbamates, thiocarbazates, semithiocarbazates, peptides, aza-amino acid conjugates, and azapeptides; and a chemoselective and site-specific functionalization protocol of protected thiocarbazates and semithiocarbazates are described. The protocol features the use of Mitsunobu reaction to alkylate specifically the nitrogen atom close to the acylthiol moiety with alcohols to produce protected mono-substituted thiocarbazates that can be stored for months, activated under mild conditions at low temperature using halonium reagents and integrated orthogonally to make substituted semicarbazides that can be used, e.g., as synthons in synthesis of aza-amino acid conjugates, azapeptides and other peptidomimetics. Methods for preparing and using ureases, carbazides, semicarbazides, beta-peptides, azapeptides, and other peptidomimetics and azapeptide conjugates, and uses of ureases, carbazides, semicarbazides, beta-peptides, azapeptides in drug discovery, diagnosis, inhibition, prevention and treatment of diseases are also described.