(E)-(S)-1-(tert-Butyl-dimethyl-silanyloxy)-2-(trityl-amino)-hexadec-4-en-3-one | 709026-56-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 三苯基化合物
• 英文名称: (E)-(S)-1-(tert-Butyl-dimethyl-silanyloxy)-2-(trityl-amino)-hexadec-4-en-3-one
• CAS: 709026-56-2
• 化学式: C₄₁H₅₉NO₂Si
• 分子量: 626.01
• InChiKey: NRROXMASJPDKCL-KUBLKQQESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.0
• 重原子数：
  45.0
• 可旋转键数：
  20.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.49
• 拓扑面积：
  38.33
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  (E)-(S)-1-(tert-Butyl-dimethyl-silanyloxy)-2-(trityl-amino)-hexadec-4-en-3-one 在 盐酸 、 zinc(II) tetrahydroborate 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 生成 C16-鞘氨醇
  参考文献：
  名称：

  Syntheses of sphingosine-1-phosphate analogues and their interaction with EDG/S1P receptors

  摘要：

  Sphingosine-I-phosphate (SIP) is an important regulator of a wide variety of biological processes acting as an endogenous ligand to EDG/S1P receptors. In an effort to establish structure-activity relationship between EDG/S1P and ligands, we report herein homology modeling study of EDG-1/S1P(1), syntheses of S I P analogues, and cell based binding affinity study for EDG/S1P receptors. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.03.001
• 作为产物：
  描述：

  十二醛 、 [4-(tert-butyldimethylsilanyloxy)-3-tritylamino-2-oxo-butyl]phosphonic acid dimethyl ester 在 1,8-二氮杂双环[5.4.0]十一碳-7-烯 、 lithium chloride 作用下， 以 四氢呋喃 为溶剂， 生成 (E)-(S)-1-(tert-Butyl-dimethyl-silanyloxy)-2-(trityl-amino)-hexadec-4-en-3-one
  参考文献：
  名称：

  Syntheses of sphingosine-1-phosphate analogues and their interaction with EDG/S1P receptors

  摘要：

  Sphingosine-I-phosphate (SIP) is an important regulator of a wide variety of biological processes acting as an endogenous ligand to EDG/S1P receptors. In an effort to establish structure-activity relationship between EDG/S1P and ligands, we report herein homology modeling study of EDG-1/S1P(1), syntheses of S I P analogues, and cell based binding affinity study for EDG/S1P receptors. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.03.001