(+/-)-Diethyl 3-(benzyloxycarbonylamino)pentadecylphosphonate | 596820-55-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (+/-)-Diethyl 3-(benzyloxycarbonylamino)pentadecylphosphonate
• 英文别名: benzyl N-(1-diethoxyphosphorylpentadecan-3-yl)carbamate
• CAS: 596820-55-2
• 化学式: C₂₇H₄₈NO₅P
• 分子量: 497.656
• InChiKey: CYOHWNNVVNOOHT-UHFFFAOYSA-N

物化性质

• 沸点：
  601.3±48.0 °C(Predicted)
• 密度：
  1.025±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  8
• 重原子数：
  34
• 可旋转键数：
  22
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.74
• 拓扑面积：
  73.9
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (+/-)-Diethyl 3-(benzyloxycarbonylamino)pentadecylphosphonate 在 碘代三甲硅烷 作用下， 以 二氯甲烷 为溶剂， 以95%的产率得到(3-Amino-pentadecyl)-phosphonic acid
  参考文献：
  名称：

  The discovery of 3-(N-alkyl)aminopropylphosphonic acids as potent S1P receptor agonists

  摘要：

  3-(N-Alkyl)aminopropylphosphonic acids are potent agonists of four of the five known sphingosine-1-phosphate (S1P) receptor subtypes. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.04.069
• 作为产物：
  描述：

  (+/-)-Diethyl 3-(carboxy)pentadecylphosphonate 在 sodium azide 、 TEA 作用下， 以 四氢呋喃 、 甲苯 为溶剂， 生成 (+/-)-Diethyl 3-(benzyloxycarbonylamino)pentadecylphosphonate
  参考文献：
  名称：

  The discovery of 3-(N-alkyl)aminopropylphosphonic acids as potent S1P receptor agonists

  摘要：

  3-(N-Alkyl)aminopropylphosphonic acids are potent agonists of four of the five known sphingosine-1-phosphate (S1P) receptor subtypes. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.04.069

文献信息

• Aminoalkylphosphonates and related compounds as edg receptor agonists
  申请人：Budhu J Richard

  公开号：US20060089334A1

  公开（公告）日：2006-04-27

  The present invention encompasses compounds or Formula (I): as well as the pharmaceutically acceptable salts and hydrates thereof. The compounds are useful for treating immune mediated diseases and conditions, such as bone marrow, organ and tissue transplant rejection. Pharmaceutical compositions and methods of use are included.

  本发明涵盖化合物或式（I）及其药学上可接受的盐和水合物。这些化合物可用于治疗免疫介导的疾病和病状，例如骨髓、器官和组织移植排斥。还包括药物组合物和使用方法。
• Aminoalkylphosphonates and related compounds as Edg receptor agonists
  申请人：Doherty A. George

  公开号：US20070224263A1

  公开（公告）日：2007-09-27

  The present invention encompasses compounds of Formula II: as well as the pharmaceutically acceptable salts and hydrates thereof. The compounds are useful for treating immune mediated diseases and conditions, such as bone marrow, organ and tissue transplant rejection. Pharmaceutical compositions and methods of use are included.

  本发明涵盖了II式化合物，以及其医药上可接受的盐和水合物。这些化合物可用于治疗免疫介导的疾病和病状，例如骨髓、器官和组织移植排斥。还包括药物组成物和使用方法。
• The discovery of 3-(N-alkyl)aminopropylphosphonic acids as potent S1P receptor agonists
  作者：Jeffrey J. Hale、George Doherty、Leslie Toth、Zhen Li、Sander G. Mills、Richard Hajdu、Carol Ann Keohane、Mark Rosenbach、James Milligan、Gan-Ju Shei、Gary Chrebet、James Bergstrom、Deborah Card、Hugh Rosen、Suzanne Mandala

  DOI：10.1016/j.bmcl.2004.04.069

  日期：2004.7

  3-(N-Alkyl)aminopropylphosphonic acids are potent agonists of four of the five known sphingosine-1-phosphate (S1P) receptor subtypes. (C) 2004 Elsevier Ltd. All rights reserved.