雌二醇新戊酸酯 | 24894-50-6

• 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
• 中文名称: 雌二醇新戊酸酯
• 英文名称: 17β-(pivaloyloxy)estran-3-ol
• 英文别名: Estradiol 17-pivalate；[(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] 2,2-dimethylpropanoate
• CAS: 24894-50-6
• 化学式: C₂₃H₃₂O₃
• 分子量: 356.505
• InChiKey: SLOFBKMZOOTTDZ-WCZGSDDISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6
• 重原子数：
  26
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  N,N-二(2-氯乙基)氨基甲酰氯 、 雌二醇新戊酸酯 在 sodium hydroxide 、 四丁基硫酸氢铵 作用下， 以 氯仿 为溶剂， 生成
  参考文献：
  名称：

  DE2629657

  摘要：

  公开号：
• 作为产物：
  描述：

  三甲基乙酰氯 在 三乙胺 作用下， 以 二氯甲烷 、 甲苯 为溶剂， 反应 100.0h， 生成 雌二醇新戊酸酯
  参考文献：
  名称：

  3-Pivaloyl-1,3-thiazolidine-2-thione在中性条件下的羟基选择性聚乙烯醇缩合反应

  摘要：

  在中性条件下，发现3-pivaloyl-1,3-thiazolidine-2-thione（PTT）可作为羟基的选择性Pivaloyylating试剂。通过PTT选择性地将含有伯羟基和仲羟基的二醇的伯羟基以及具有醇羟基和酚羟基的二醇的酚羟基进行了多羟基化。

  DOI：

  10.1016/0040-4039(92)88169-6

文献信息

• Twisted Amides as Selective Acylating Agents for Hydroxyl Groups under Neutral Conditions:  Models for Activated Peptides during Enzymatic Acyl Transfer Reaction
  作者：Shinji Yamada、Takayuki Sugaki、Kazuhiro Matsuzaki

  DOI：10.1021/jo9522015

  日期：1996.1.1

  The highly twisted amide 2 served as a selective acylating agent; for dials under neutral conditions. The reaction of primary-secondary dials with 2 led to the corresponding primary alkyl monopivalates. For dials containing alcoholic and phenolic hydroxyl groups, alcoholic hydroxyl groups were selectively acylated under neutral conditions, whereas, the opposite selectivity was observed under basic conditions, similar to the cases using acyl halides or acid anhydrides. Although 1 and 3 were unreactive to alcohols, 5-10 having substituent groups at C-4 were reactive to alcohols to give the corresponding acetates or benzoates.
• DEMETHYLPENCLOMEDINE ANALOGS AND THEIR USE AS ANTI-CANCER AGENTS
  申请人：Morgan Lee Roy

  公开号：US20120177634A1

  公开（公告）日：2012-07-12

  This disclosure concerns novel demethylpenclomedine analogs. Also disclosed are pharmaceutical compositions and methods for using such compositions to treat hyperproliferative disorders. In one embodiment the analogs are represented by the formula
• Compositions, Methods and Uses for Treating Gender-Biased Immune Disorders
  申请人：Biocopea Limited

  公开号：US20160008376A1

  公开（公告）日：2016-01-14

  The present specification discloses compositions comprising at least one therapeutic compound capable of modulating a level and/or activity of a hormone and methods and uses for treating a gender-biased immune disorder using such compositions.
• US9422241B2
  申请人：——

  公开号：US9422241B2

  公开（公告）日：2016-08-23
• [EN] COMPOSITIONS, METHODS AND USES FOR TREATING GENDER-BIASED IMMUNE DISORDERS<br/>[FR] COMPOSITIONS, PROCÉDÉS ET UTILISATIONS POUR LE TRAITEMENT DE TROUBLES IMMUNITAIRES DÉPENDANT DU SEXE
  申请人：BIOCOPEA LTD

  公开号：WO2016005599A1

  公开（公告）日：2016-01-14

  The present specification discloses compositions comprising at least one therapeutic compound capable of modulating a level and/or activity of a hormone and methods and uses for treating a gender-biased immune disorder using such compositions.