2-tert-butyloxycarbonylamino-2-[2-(4-heptyloxyphenyl)ethyl]propane-1,3-diol | 844497-55-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 2-tert-butyloxycarbonylamino-2-[2-(4-heptyloxyphenyl)ethyl]propane-1,3-diol
• 英文别名: tert-butyl N-[4-(4-heptoxyphenyl)-1-hydroxy-2-(hydroxymethyl)butan-2-yl]carbamate
• CAS: 844497-55-8
• 化学式: C₂₃H₃₉NO₅
• 分子量: 409.566
• InChiKey: JINRPFGSMNSFNM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  29
• 可旋转键数：
  15
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  88
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-tert-butyloxycarbonylamino-2-[2-(4-heptyloxyphenyl)ethyl]propane-1,3-diol 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 1.5h， 生成 2-amino-2-[2-(4-heptyloxyphenyl)ethyl]propane-1,3-diol
  参考文献：
  名称：

  Efficient chromatography-free synthesis of the oxy-analogue of fingolimod

  摘要：

  Fingolimod (FTY720) and its analogue derivatives are not only promising therapeutics in sphingolipid signaling but also valuable tools for understanding the roles of sphingolipids in (patho)physiological conditions. A practical method for the synthesis of the ether analogue of FTY720 is described. Our final synthetic approach allows high yield and efficient synthesis of O-FTY in only four steps without chromatographic purifications. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2010.05.051
• 作为产物：
  描述：

  2-tert-butoxycarbonylamino-2-(2-[4-(heptyloxy)phenyl]ethyl)malonic acid diethyl ester 在 sodium tetrahydroborate 、 calcium chloride 作用下， 以 乙醇 、 水 为溶剂， 生成 2-tert-butyloxycarbonylamino-2-[2-(4-heptyloxyphenyl)ethyl]propane-1,3-diol
  参考文献：
  名称：

  Efficient chromatography-free synthesis of the oxy-analogue of fingolimod

  摘要：

  Fingolimod (FTY720) and its analogue derivatives are not only promising therapeutics in sphingolipid signaling but also valuable tools for understanding the roles of sphingolipids in (patho)physiological conditions. A practical method for the synthesis of the ether analogue of FTY720 is described. Our final synthetic approach allows high yield and efficient synthesis of O-FTY in only four steps without chromatographic purifications. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2010.05.051

文献信息

• [EN] PHOSPHINANE COMPOUNDS WITH IMMUNOMODULATING ACTIVITY<br/>[FR] COMPOSES DE PHOSPHINANE A EFFET IMMUNOMODULATEUR
  申请人：MITSUBISHI PHARMA CORP

  公开号：WO2005014603A1

  公开（公告）日：2005-02-17

  The invention is directed to a phosphinane compound having a unique immunomodulating activity, a process for a preparation thereof, a pharmaceutical composition containing the same, and a method of preventing or treating disorders or diseases mediated by T lymphocytes by administering the compound to a subject in need of treatment.

  这项发明涉及一种具有独特免疫调节活性的膦环化合物，其制备方法，含有该化合物的药物组合物，以及通过向需要治疗的受试者施用该化合物来预防或治疗由T淋巴细胞介导的疾病或疾病的方法。
• Efficient chromatography-free synthesis of the oxy-analogue of fingolimod
  作者：Aleksandra Zivkovic、Holger Stark

  DOI：10.1016/j.tetlet.2010.05.051

  日期：2010.7

  Fingolimod (FTY720) and its analogue derivatives are not only promising therapeutics in sphingolipid signaling but also valuable tools for understanding the roles of sphingolipids in (patho)physiological conditions. A practical method for the synthesis of the ether analogue of FTY720 is described. Our final synthetic approach allows high yield and efficient synthesis of O-FTY in only four steps without chromatographic purifications. (C) 2010 Elsevier Ltd. All rights reserved.