1-O-benzyl-2,3-di-O-octanoyl-rac-glycerol | 145827-12-9

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 甘油脂
• 英文名称: 1-O-benzyl-2,3-di-O-octanoyl-rac-glycerol
• 英文别名: 1-O-benzyl-2,3-di-O-octanoylglycerol；(2-Octanoyloxy-3-phenylmethoxypropyl) octanoate
• CAS: 145827-12-9
• 化学式: C₂₆H₄₂O₅
• 分子量: 434.616
• InChiKey: YKYDQMIJNZBEQD-UHFFFAOYSA-N

物化性质

• 沸点：
  519.0±40.0 °C(Predicted)
• 密度：
  0.9864 g/cm3

计算性质

• 辛醇/水分配系数(LogP)：
  7.4
• 重原子数：
  31
• 可旋转键数：
  21
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.69
• 拓扑面积：
  61.8
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  1-O-benzyl-2,3-di-O-octanoyl-rac-glycerol 在 Novozyme 435 lipase 、 水 作用下， 以 正己烷 为溶剂， 生成 1-O-benzyl-2-O-octanoyl-sn-glycerol
  参考文献：
  名称：

  通过高分辨率1H NMR评估制备2-脱氧糖甘油甘油脂衍生物的区域选择性和立体选择性。

  摘要：

  已经合成了新的甘油甘油脂，即带有一个或两个脂肪酸链的2-脱氧糖的衍生物。对于三苯基膦氢溴酸盐（TPHB）催化的甘油部分加成至某些代表性的糖类，已经获得了不同程度的区域选择性和立体选择性。讨论了糖基化反应中糖基衍生物结构的影响。

  DOI：

  10.1016/j.chemphyslip.2005.09.002
• 作为产物：
  描述：

  1-苄基-2,3-异亚丙基-rac-甘油 在 吡啶 、 对甲苯磺酸 作用下， 以 乙醇 为溶剂， 反应 14.0h， 生成 1-O-benzyl-2,3-di-O-octanoyl-rac-glycerol
  参考文献：
  名称：

  通过高分辨率1H NMR评估制备2-脱氧糖甘油甘油脂衍生物的区域选择性和立体选择性。

  摘要：

  已经合成了新的甘油甘油脂，即带有一个或两个脂肪酸链的2-脱氧糖的衍生物。对于三苯基膦氢溴酸盐（TPHB）催化的甘油部分加成至某些代表性的糖类，已经获得了不同程度的区域选择性和立体选择性。讨论了糖基化反应中糖基衍生物结构的影响。

  DOI：

  10.1016/j.chemphyslip.2005.09.002

文献信息

• Compositions and methods for targeted enzymatic release of cell regulatory compounds
  申请人：Marker Gene Technologies, Inc.

  公开号：US06656917B1

  公开（公告）日：2003-12-02

  Novel pro-drugs and methods for their use to alter the growth and biological characteristics of living cells, tissues, or whole organisms are described. The methods allow for selective activation of the pro-drugs at or near transformant host cells expressing a gene for an enzyme that activates the pro-drugs. Pro-drugs according to a preferred embodiment of the invention are conjugates of a bioactive compound and a chemical group that is capable of being cleaved from the bioactive compound by action of an enzyme. Methods according to this invention include, (a) introducing into targeted cells a gene encoding an enzyme and (b) administering a pro-drug, wherein the enzyme releases the pro-drug from conjugation. In a preferred embodiment of the invention, the gene encoding the enzyme is a marker gene.

  本发明描述了新型前药及其用于改变活细胞、组织或整个生物体的生长和生物学特性的方法。该方法允许在表达激活前药酶基因的转化宿主细胞附近或附近选择性地激活前药。根据本发明的一个优选实施例，前药是生物活性化合物与能够通过酶作用从生物活性化合物中裂解出来的化学基团的缀合物。根据本发明的方法包括：(a)将编码酶的基因引入目标细胞；(b)施用前药，其中酶从前药缀合物中释放前药。在本发明的一个优选实施例中，编码酶的基因是标记基因。
• Lipid-improving agent and composition containing lipid-improving agent
  申请人：Akimoto Kengo

  公开号：US20060217441A1

  公开（公告）日：2006-09-28

  A lipid-improving agent containing a triglyceride(s) where a poly-unsaturated fatty acid is bonded to 2-position of a triglyceride(s).

  一种含有甘油三酯的脂质改善剂，其中多不饱和脂肪酸与甘油三酯的2位结合。
• Metal-Catalyzed Transesterification for Healing and Assembling of Thermosets
  作者：Mathieu Capelot、Damien Montarnal、François Tournilhac、Ludwik Leibler

  DOI：10.1021/ja302894k

  日期：2012.5.9

  Catalytic control of bond exchange reactions enables healing of cross-linked polymer materials under a wide range of conditions. The healing capability at high temperatures is demonstrated for epoxy-acid and epoxy anhydride thermoset networks in the presence of transesterification catalysts. At lower temperatures, the exchange reactions are very sluggish, and the materials have properties of classical epoxy thermosets. Studies of model molecules confirmed that the healing kinetics is controlled by the transesterification reaction rate. The possibility of varying the catalyst concentration brings control and flexibility of welding and assembling of epoxy thermosets that do not exist for thermoplastics.
• Synthesis of diacylglycerol analogues as potential second-messenger antagonists and inhibitors of protein kinase C
  作者：Josie C. Briggs、Alan H. Haines、Richard J.K. Taylor、Alan P. Dawson、I. Gibson、Jackie Hook、Alan Lloyd、Silkie Meiners

  DOI：10.1016/0008-6215(92)85036-y

  日期：1992.10

  A series of analogues of diacylglycerol has been prepared and tested as inhibitors of protein kinase C (PKC). The diketone analogues, 10-hydroxymethyl-8,13-eicosanedione (24), 10-acetoxymethyl-8,13-eicosanedione (25), and 10-methoxymethyl-8,13-eicosanedione (26) each inhibited PKC activated by 2-0-acetyl-1-0-oleoylglycerol. Compound 24 was the most effective inhibitor of the growth of MR4 and HT29 cells in culture, and 26 was more effective than 24 against HL60 cells.