(2S,4aS,6aS,6bR,10S,12aS)-N-(2-azidoethyl)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-2-carboxamide | 1247007-10-8

• 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: (2S,4aS,6aS,6bR,10S,12aS)-N-(2-azidoethyl)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-2-carboxamide
• 英文别名: N-(2-azidoethyl)-glycyrrhetinamide；(2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-N-(2-azidoethyl)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxamide
• CAS: 1247007-10-8
• 化学式: C₃₂H₅₀N₄O₃
• 分子量: 538.774
• InChiKey: OQSVNNAGGSCRPZ-XWEVEMRCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.1
• 重原子数：
  39
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  80.8
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  N-(2-aminoethyl)-3β-hydroxy-11-oxo-olean-12-en-30-amide 在 copper(II) sulfate 1H-咪唑-1-磺酰叠氮盐酸盐 、 potassium carbonate 作用下， 以 甲醇 为溶剂， 以73%的产率得到(2S,4aS,6aS,6bR,10S,12aS)-N-(2-azidoethyl)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-2-carboxamide
  参考文献：
  名称：

  [EN] 18-BETA-GLYCYRRHETINIC ACID DERIVATIVES WITH ANTI-TUMOR ACTIVITY
  [FR] DÉRIVÉS D'ACIDE 18?-GLYCYRRHÉTINIQUE AYANT UNE ACTIVITÉ ANTITUMORALE

  摘要：

  这项发明涉及医学和美容领域，更准确地说是抗癌治疗、炎症性疾病和糖尿病治疗以及抗衰老或抗皱剂领域，使用新合成的18β-甘草酸衍生物及其在治疗上述疾病或症状中的应用。

  公开号：

  WO2012022780A1

文献信息

• An Optimized Immunoaffinity Fluorescent Method for Natural Product Target Elucidation
  作者：Wei-luen Yu、Gianni Guizzunti、Timothy L. Foley、Michael D. Burkart、James J. La Clair

  DOI：10.1021/np100371k

  日期：2010.10.22

  Understanding the mode of action of small molecules is an integral facet of drug discovery. We report an optimized immunoaffinity fluorescent method that allows one to conduct parallel studies at both the cellular and molecular level using a single probe construct. Viability of the method has been evaluated analytically and applied using glycyrrhetic acid as a model.
• [EN] 18-BETA-GLYCYRRHETINIC ACID DERIVATIVES WITH ANTI-TUMOR ACTIVITY<br/>[FR] DÉRIVÉS D'ACIDE 18?-GLYCYRRHÉTINIQUE AYANT UNE ACTIVITÉ ANTITUMORALE
  申请人：UNIV BRUXELLES

  公开号：WO2012022780A1

  公开（公告）日：2012-02-23

  The invention relates to the medical and cosmetic field, more precisely the field of anticancer treatment and treatment of inflammatory diseases and diabetes and the field of anti-aging or anti-wrinkling agents using newly synthesized 18β-glycyrrhetinic acid derivatives and there use in the treatment of said disorders or symptoms.

  这项发明涉及医学和美容领域，更准确地说是抗癌治疗、炎症性疾病和糖尿病治疗以及抗衰老或抗皱剂领域，使用新合成的18β-甘草酸衍生物及其在治疗上述疾病或症状中的应用。