(R)-3-((R)-2-amino-1-methyl-ethylsulfanyl)-2-tert-butoxycarbonylamino-propionic acid tert-butyl ester | 251325-32-3

• 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: (R)-3-((R)-2-amino-1-methyl-ethylsulfanyl)-2-tert-butoxycarbonylamino-propionic acid tert-butyl ester
• 英文别名: tert-butyl (2R)-3-[(2R)-1-aminopropan-2-yl]sulfanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
• CAS: 251325-32-3
• 化学式: C₁₅H₃₀N₂O₄S
• 分子量: 334.48
• InChiKey: SUYNXSAPWAXWCX-MNOVXSKESA-N

物化性质

• 沸点：
  452.0±45.0 °C(Predicted)
• 密度：
  1.077±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  22
• 可旋转键数：
  10
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.87
• 拓扑面积：
  116
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  (R)-3-((R)-2-amino-1-methyl-ethylsulfanyl)-2-tert-butoxycarbonylamino-propionic acid tert-butyl ester 、 盐酸乙脒 在 氨 作用下， 以 甲醇 为溶剂， 生成 (2R,5R)-t-butyl-2N-t-butoxycarbonyl-6N-(1-iminoethyl)-2,6-diamino-5-methyl-4-thiohexanoate hydrochloride
  参考文献：
  名称：

  Controlling thiiranium intermediates—a new route to an iNOS inhibitor

  摘要：

  Our synthetic efforts towards an iNOS (inducible isoform of the nitric oxide synthase) inhibitor led us to the relatively unexplored field of generating and controlling the reactivity of chiral, unsymmetrical thiiranium species. We found that product regiochemistry depends on a tunable equilibrium, the understanding of which proved pivotal in defining a new route to a drug substance. The development of a new amidination method is also discussed. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2009.07.059
• 作为产物：
  描述：

  1,1-dimethylethyl N-{[(1,1-dimethylethyl)oxy]carbonyl}-S-[(1R)-1-methyl-2-({[(phenylmethyl)oxy]carbonyl}amino)ethyl]-L-cysteinate 在 20% Pd(OH)2 on carbon 甲酸铵 作用下， 以 乙醇 为溶剂， 反应 1.0h， 生成 (R)-3-((R)-2-amino-1-methyl-ethylsulfanyl)-2-tert-butoxycarbonylamino-propionic acid tert-butyl ester
  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。
• Controlling thiiranium intermediates—a new route to an iNOS inhibitor
  作者：Geracimos Rassias、Stephen A. Hermitage

  DOI：10.1016/j.tetlet.2009.07.059

  日期：2009.10

  Our synthetic efforts towards an iNOS (inducible isoform of the nitric oxide synthase) inhibitor led us to the relatively unexplored field of generating and controlling the reactivity of chiral, unsymmetrical thiiranium species. We found that product regiochemistry depends on a tunable equilibrium, the understanding of which proved pivotal in defining a new route to a drug substance. The development of a new amidination method is also discussed. (C) 2009 Elsevier Ltd. All rights reserved.