2-(2,4-dimethoxy-phenyl)-4-isobutyl-oxazolidine-3,5-dicarboxylic acid 3-tert-butyl ester 5-[7,9,10-triacetoxy-8,12,15,15-tetramethyl-4-methylene-5-(3-phenyl-acryloyloxy)-tricyclo[9.3.1.03,8]pentadec-11-en-13-yl] ester | 934686-97-2

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 2-(2,4-dimethoxy-phenyl)-4-isobutyl-oxazolidine-3,5-dicarboxylic acid 3-tert-butyl ester 5-[7,9,10-triacetoxy-8,12,15,15-tetramethyl-4-methylene-5-(3-phenyl-acryloyloxy)-tricyclo[9.3.1.03,8]pentadec-11-en-13-yl] ester
• CAS: 934686-97-2
• 化学式: C₅₆H₇₃NO₁₅
• 分子量: 1000.19
• InChiKey: YVYFSYDJEJKWJY-VIKDCDRWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.43
• 重原子数：
  72.0
• 可旋转键数：
  13.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  188.73
• 氢给体数：
  0.0
• 氢受体数：
  15.0

反应信息

• 作为反应物：
  描述：

  2-(2,4-dimethoxy-phenyl)-4-isobutyl-oxazolidine-3,5-dicarboxylic acid 3-tert-butyl ester 5-[7,9,10-triacetoxy-8,12,15,15-tetramethyl-4-methylene-5-(3-phenyl-acryloyloxy)-tricyclo[9.3.1.03,8]pentadec-11-en-13-yl] ester 在 盐酸 作用下， 以 甲醇 为溶剂， 生成
  参考文献：
  名称：

  Synthesis and biological evaluation of new taxoids derived from 2-deacetoxytaxinine J

  摘要：

  A small library of 2-deacetoxytaxinine J (DAT-J) 1 derivatives was synthesised and tested in vitro for their reversal activity in human mammary carcinoma MDR cell line MCF7-R. One of the new taxoids showed to be active at 0. 1 mu M when tested in combination with paclitaxel. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.12.101
• 作为产物：
  描述：

  2-去乙酰氧-5Α-羟基紫杉宁J 在 4-二甲氨基吡啶 、 lithium hydroxide 、 1-(3-二甲基氨基丙基)-3-乙基碳二亚胺 作用下， 以 甲醇 、 甲苯 为溶剂， 生成 2-(2,4-dimethoxy-phenyl)-4-isobutyl-oxazolidine-3,5-dicarboxylic acid 3-tert-butyl ester 5-[7,9,10-triacetoxy-8,12,15,15-tetramethyl-4-methylene-5-(3-phenyl-acryloyloxy)-tricyclo[9.3.1.03,8]pentadec-11-en-13-yl] ester
  参考文献：
  名称：

  Synthesis and biological evaluation of new taxoids derived from 2-deacetoxytaxinine J

  摘要：

  A small library of 2-deacetoxytaxinine J (DAT-J) 1 derivatives was synthesised and tested in vitro for their reversal activity in human mammary carcinoma MDR cell line MCF7-R. One of the new taxoids showed to be active at 0. 1 mu M when tested in combination with paclitaxel. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.12.101