(S)-4-[(E)-(R)-1-(2-Chloro-acetoxy)-6-(10-pyren-1-yl-decanoyloxy)-hex-2-enyl]-2,2-dimethyl-oxazolidine-3-carboxylic acid tert-butyl ester | 688008-55-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 芘
• 英文名称: (S)-4-[(E)-(R)-1-(2-Chloro-acetoxy)-6-(10-pyren-1-yl-decanoyloxy)-hex-2-enyl]-2,2-dimethyl-oxazolidine-3-carboxylic acid tert-butyl ester
• CAS: 688008-55-1
• 化学式: C₄₄H₅₆ClNO₇
• 分子量: 746.384
• InChiKey: DEIQWGSOBANYMB-FYZULEAQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.65
• 重原子数：
  53.0
• 可旋转键数：
  18.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  91.37
• 氢给体数：
  0.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  (S)-4-[(E)-(R)-1-(2-Chloro-acetoxy)-6-(10-pyren-1-yl-decanoyloxy)-hex-2-enyl]-2,2-dimethyl-oxazolidine-3-carboxylic acid tert-butyl ester 在 ammonium hydroxide 作用下， 以 甲醇 为溶剂， 生成 (S)-4-[(E)-(R)-1-Hydroxy-6-(10-pyren-1-yl-decanoyloxy)-hex-2-enyl]-2,2-dimethyl-oxazolidine-3-carboxylic acid tert-butyl ester
  参考文献：
  名称：

  Fluorescence-labeled sphingosines as substrates of sphingosine kinases 1 and 2

  摘要：

  Fluorescently labeled D-erythro-sphingosines have been successfully synthesized in 9 and 12 steps starting from commercially available Garner aldehyde. Determining the influence of the nature, position and linkage of the label on the in vitro phosphorylation rate by sphingosine kinases 1 and 2 resulted in the identification of a pyrene- and a NBD-labeled sphingosine which are both phosphorylated with efficiency comparable to the natural substrate. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2003.12.099
• 作为产物：
  描述：

  (S)-4-[(E)-(R)-1-(2-Chloro-acetoxy)-6-(tetrahydro-pyran-2-yloxy)-hex-2-enyl]-2,2-dimethyl-oxazolidine-3-carboxylic acid tert-butyl ester 在 4-二甲氨基吡啶 、 对甲苯磺酸 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 甲醇 、 二氯甲烷 、 丙酮 为溶剂， 反应 1.0h， 生成 (S)-4-[(E)-(R)-1-(2-Chloro-acetoxy)-6-(10-pyren-1-yl-decanoyloxy)-hex-2-enyl]-2,2-dimethyl-oxazolidine-3-carboxylic acid tert-butyl ester
  参考文献：
  名称：

  Fluorescence-labeled sphingosines as substrates of sphingosine kinases 1 and 2

  摘要：

  Fluorescently labeled D-erythro-sphingosines have been successfully synthesized in 9 and 12 steps starting from commercially available Garner aldehyde. Determining the influence of the nature, position and linkage of the label on the in vitro phosphorylation rate by sphingosine kinases 1 and 2 resulted in the identification of a pyrene- and a NBD-labeled sphingosine which are both phosphorylated with efficiency comparable to the natural substrate. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2003.12.099