(2R,5R)-6N-(1-iminoethyl)-2,6-diamino-5-methyl-4-thiohexanoic acid monophosphate | 823791-26-0

• 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: (2R,5R)-6N-(1-iminoethyl)-2,6-diamino-5-methyl-4-thiohexanoic acid monophosphate
• 英文别名: (2R)-2-amino-3-[(2R)-1-(1-aminoethylideneamino)propan-2-yl]sulfanylpropanoic acid;phosphoric acid
• CAS: 823791-26-0
• 化学式: C₈H₁₇N₃O₂S*H₃O₄P
• 分子量: 317.303
• InChiKey: FUFDAMQIINAXQX-PACXSXMQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.82
• 重原子数：
  19
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  205
• 氢给体数：
  6
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  (2R,5R)-t-butyl-2N-t-butoxycarbonyl-6N-(1-iminoethyl)-2,6-diamino-5-methyl-4-thiohexanoate hydrochloride 在 碳酸氢钠 、 磷酸 作用下， 以 水 、 乙酸乙酯 、 甲苯 为溶剂， 反应 6.0h， 生成 (2R,5R)-6N-(1-iminoethyl)-2,6-diamino-5-methyl-4-thiohexanoic acid monophosphate
  参考文献：
  名称：

  [EN] (2R, 5R)-6N-(1-IMINOETHYL)-2,6-DIAMINO-5-METHYL-4-THIOHEXANOIC ACID; SALTS THEREOF; A PROCESS FOR THEIR PREPARATION; PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE IN MEDECINE
  [FR] ACIDE (2R, 5R) - 6N- (1-IMINOETHYL)-2, 6-DIAMINO-5-METHYL-4-THIOHEXANOIQUE; SELS DE CE DERNIER, PROCEDE DE PREPARATION CORRESPONDANT; COMPOSITIONS PHARMACEUTIQUES CONTENANT CES COMPOSES ET UTILISATION DE CES DERNIERS EN MEDECINE

  摘要：

  摘要：本发明涉及一种制作药用瓶的方法，其中瓶和封闭件分别在瓶模和封闭件模中并行成型，然后自动将封闭件和瓶组装在一起，所有这些都在无菌环境中完成。本发明还提供了一种执行此过程的装置。通过本发明的方法和装置，可以制作具有无菌内部的密封瓶。

  公开号：

  WO2005005377A1

文献信息

• [EN] (2R, 5R)-6N-(1-IMINOETHYL)-2,6-DIAMINO-5-METHYL-4-THIOHEXANOIC ACID; SALTS THEREOF; A PROCESS FOR THEIR PREPARATION; PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE IN MEDECINE<br/>[FR] ACIDE (2R, 5R) - 6N- (1-IMINOETHYL)-2, 6-DIAMINO-5-METHYL-4-THIOHEXANOIQUE; SELS DE CE DERNIER, PROCEDE DE PREPARATION CORRESPONDANT; COMPOSITIONS PHARMACEUTIQUES CONTENANT CES COMPOSES ET UTILISATION DE CES DERNIERS EN MEDECINE
  申请人：GLAXO GROUP LTD

  公开号：WO2005005377A1

  公开（公告）日：2005-01-20

  ABSTRACT A process for making a medicinal vial in which a vial and a closure are moulded in parallel in respective vial and closure moulds, then the closure and vial are automatically assembled together, all in a sterile environment. An apparatus for performing this process is also provided. By the process and apparatus of the invention sealed vials with a sterile interior may be made

  摘要：本发明涉及一种制作药用瓶的方法，其中瓶和封闭件分别在瓶模和封闭件模中并行成型，然后自动将封闭件和瓶组装在一起，所有这些都在无菌环境中完成。本发明还提供了一种执行此过程的装置。通过本发明的方法和装置，可以制作具有无菌内部的密封瓶。
• Development of a Supply Route for the Synthesis of an iNOS Inhibitor: Complications of the Key S_N2 Reaction
  作者：Geracimos Rassias、Stephen A. Hermitage、Mahesh J. Sanganee、Peter M. Kincey、Neil M. Smith、Ian P. Andrews、Gary T. Borrett、Graham R. Slater

  DOI：10.1021/op900108b

  日期：2009.7.17

  The original medicinal chemistry synthesis of an iNOS inhibitor presented several challenges that had to be overcome in order to constitute a supply route suitable for operation on a multikilo scale. The key step in the synthesis is an S(N)2 reaction that assembles the chiral carbon framework, but this reaction proved far more complex than we anticipated. significant improvements were made to all stages. The modified route performed well over two pilot-plant campaigns and delivered over 250 kg of the active pharmaceutical ingredient (API).