methyl lup-2-eno[2,3-d]isoxazol-28-oate | 620958-46-5

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 类固醇和类固醇衍生物
• 英文名称: methyl lup-2-eno[2,3-d]isoxazol-28-oate
• 英文别名: methyl (1R,2R,10R,13R,14R,17S,20S,21R,22R)-2,9,9,13,14-pentamethyl-20-propan-2-yl-7-oxa-6-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-4(8),5-diene-17-carboxylate
• CAS: 620958-46-5
• 化学式: C₃₂H₄₉NO₃
• 分子量: 495.746
• InChiKey: MEOWYRBHLDXHGV-BZCFEEOXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.9
• 重原子数：
  36
• 可旋转键数：
  3
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  52.3
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  methyl lup-2-eno[2,3-d]isoxazol-28-oate 在 sodium methylate 、 2,3-二氯-5,6-二氰基-1,4-苯醌 作用下， 以 甲醇 、 乙醚 、 苯 为溶剂， 生成 methyl 2-cyano-lup-1-en-3-oxo-20-oate
  参考文献：
  名称：

  Synthesis and cytotoxic activity of a-ring modified betulinic acid derivatives

  摘要：

  New A-ring modified betulinic acid derivatives having small steric hindrance were prepared and tested for cytotoxic activity on 3 cancer cell lines: 10 compounds showed stronger cytotoxic activity than betulinic acid. Especially, the compounds bearing 1-ene-3-oxo with electron-withdrawing groups at C2 showed strong cytotoxicity. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00724-8
• 作为产物：
  描述：

  methyl dihydrobetulonate 在 羟胺 、 sodium methylate 作用下， 以 乙醇 为溶剂， 生成 methyl lup-2-eno[2,3-d]isoxazol-28-oate
  参考文献：
  名称：

  Synthesis and cytotoxic activity of a-ring modified betulinic acid derivatives

  摘要：

  New A-ring modified betulinic acid derivatives having small steric hindrance were prepared and tested for cytotoxic activity on 3 cancer cell lines: 10 compounds showed stronger cytotoxic activity than betulinic acid. Especially, the compounds bearing 1-ene-3-oxo with electron-withdrawing groups at C2 showed strong cytotoxicity. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00724-8

文献信息

• WO2008/63318
  申请人：——

  公开号：——

  公开（公告）日：——
• Synthesis and cytotoxic activity of a-ring modified betulinic acid derivatives
  作者：Young-Jae You、Yong Kim、Nguyen-Hai Nam、Byung-Zun Ahn

  DOI：10.1016/s0960-894x(03)00724-8

  日期：2003.10

  New A-ring modified betulinic acid derivatives having small steric hindrance were prepared and tested for cytotoxic activity on 3 cancer cell lines: 10 compounds showed stronger cytotoxic activity than betulinic acid. Especially, the compounds bearing 1-ene-3-oxo with electron-withdrawing groups at C2 showed strong cytotoxicity. (C) 2003 Elsevier Ltd. All rights reserved.