methyl 3-(benzylamino)-2-((benzylamino)methyl)propanoate | 496974-24-4

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: methyl 3-(benzylamino)-2-((benzylamino)methyl)propanoate
• 英文别名: Methyl 3-(benzylamino)-2-((benzylamino)methyl)-proprionate；methyl 3-(benzylamino)-2-[(benzylamino)methyl]propanoate
• CAS: 496974-24-4
• 化学式: C₁₉H₂₄N₂O₂
• 分子量: 312.412
• InChiKey: FVVCBCIYUJXXQB-UHFFFAOYSA-N

物化性质

• 沸点：
  453.1±45.0 °C(Predicted)
• 密度：
  1.088±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  23
• 可旋转键数：
  10
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  50.4
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  methyl 3-(benzylamino)-2-((benzylamino)methyl)propanoate 在 palladium 10% on activated carbon 、 氢气 、 碳酸氢钠 作用下， 以 甲醇 、 乙醇 、 溶剂黄146 为溶剂， 38.0~48.0 ℃ 、344.75 kPa 条件下， 反应 18.0h， 生成 丙酸,3-[[(1,1-二甲基乙氧基)羰基]氨基]-2-[[[(1,1-二甲基乙氧基)羰基]氨基]甲基]-,甲基酯
  参考文献：
  名称：

  Process Research Towards a Scalable Synthesis of the Muscarinic M₁ Receptor Subtype Selective Agonist MCD-386

  摘要：

  An efficient process for the M-1-selective muscarinic agonist MCD-386 has been developed that offers significant advantages over the original synthetic approach. The new process utilizes an improved preparation of a known symmetrical diamine ester, followed by elaboration to a symmetrical 5-substituted tetrahydropyrimidine. The new route avoids cryogenics and chromatography steps, circumvents an expensive protecting group strategy, and offers significant improvements in cost and throughput.

  DOI：

  10.1021/op2001996
• 作为产物：
  描述：

  3-溴-2-(溴甲基)丙酸甲酯 生成 methyl 3-(benzylamino)-2-((benzylamino)methyl)propanoate
  参考文献：
  名称：

  Org. Process Res. Dev. 2011, 15, 1344-1347

  摘要：

  DOI：

文献信息

• Peptide-based multimeric targeted contrast agents
  申请人：——

  公开号：US20030180222A1

  公开（公告）日：2003-09-25

  Peptides and peptide-targeted multimeric contrast agents are described, as well as methods of making and using the contrast agents.

  描述了肽和靶向肽多聚对比剂，以及制备和使用对比剂的方法。
• [EN] COMPOUNDS AND COMPOSITIONS FOR COGNITION-ENHANCEMENT, METHODS OF MAKING, AND METHODS OF TREATING<br/>[FR] COMPOSÉS ET COMPOSITIONS POUR AMÉLIORER LA FONCTION COGNITIVE, PROCÉDÉS DE FABRICATION ET MÉTHODES DE TRAITEMENT
  申请人：MITHRIDION INC

  公开号：WO2010102218A1

  公开（公告）日：2010-09-10

  Muscarinic agonists, which are useful for stimulating muscarinic receptors and treating cognitive disorders, are provided. Methods of synthesizing such agonists also are provided. Also provided are compositions for enhancing cognitive function in subjects such as humans, the compositions comprising a muscarinic agonist or a pharmaceutically suitable form thereof. Also provided are methods of treating animals such as humans by administering such compositions.

  提供了用于刺激肌气受体并治疗认知障碍的肌气受体激动剂。还提供了合成这类激动剂的方法。还提供了用于增强人类等受试者认知功能的组合物，该组合物包括肌气受体激动剂或其药用适宜形式。还提供了通过给予这类组合物来治疗动物如人类的方法。
• Peptide-Based Multimeric Targeted Contrast Agents
  申请人：Zhang Zhaoda

  公开号：US20070185311A1

  公开（公告）日：2007-08-09

  Peptides and peptide-targeted multimeric contrast agents are described, as well as methods of making and using the contrast agents.

  本文描述了肽和肽靶向多聚对比剂，以及制备和使用对比剂的方法。
• COMPOUNDS AND COMPOSITIONS FOR COGNITION-ENHANCEMENT, METHODS OF MAKING, AND METHODS OF TREATING
  申请人：Twose Trevor M.

  公开号：US20120046273A1

  公开（公告）日：2012-02-23

  Muscarinic agonists, which are useful for stimulating muscarinic receptors and treating cognitive disorders, are provided. Methods of synthesizing such agonists also are provided. Also provided are compositions for enhancing cognitive function in subjects such as humans, the compositions comprising a muscarinic agonist or a pharmaceutically suitable form thereof. Also provided are methods of treating animals such as humans by administering such compositions.

  提供了用于刺激毒蕈碱受体和治疗认知障碍的毒蕈碱激动剂。还提供了合成这种激动剂的方法。还提供了用于增强人类等受试者认知功能的组合物，其中组合物包括毒蕈碱激动剂或其药学上适宜的形式。还提供了通过给予这样的组合物治疗人类等动物的方法。
• PEPTIDE-BASED MULTIMERIC TARGETED CONTRAST AGENTS
  申请人：EPIX Pharmaceuticals, Inc.

  公开号：EP1420681B1

  公开（公告）日：2013-12-25