EM-800 | 182167-03-9

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 黄酮类化合物
• 英文名称: EM-800
• 英文别名: (+)-7-pivaloyloxy-3-(4‘-pivaloyloxyphenyl)-4-methyl-2-(4“-(2“-piperidinoethoxy)phenyl)-2H-benzopyran；(+)-7-pivaloyloxy-3-(4'-pivaloyloxyphenyl)-4-methyl-2-(4''-(2"'-piperidinoethoxy)phenyl)-2H-benzopyran；Unii-xcr716lecp；[4-[(2S)-7-(2,2-dimethylpropanoyloxy)-4-methyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-2H-chromen-3-yl]phenyl] 2,2-dimethylpropanoate
• CAS: 182167-03-9
• 化学式: C₃₉H₄₇NO₆
• 分子量: 625.805
• InChiKey: OEKMGABCSLYWOP-DHUJRADRSA-N

物化性质

• 沸点：
  703.8±60.0 °C(Predicted)
• 密度：
  1.130±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  8.2
• 重原子数：
  46
• 可旋转键数：
  12
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  74.3
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  1-(2,4-二羟基苯基)-2-(4-羟基苯基)-乙酮 在 哌啶 、 水 、 caesium carbonate 、 对甲苯磺酸 、 溶剂黄146 、 三乙胺 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 87.0h， 生成 EM-800
  参考文献：
  名称：

  （S）-（+）-4- [7-（2,2-二甲基-1-氧丙氧基）-4-甲基-2- [4- [2-（1-哌啶基）-乙氧基]苯基] -2H- 1,2-苯并吡喃-3-基]-苯基2,2-二甲基丙酸酯（EM-800）：一种高效，特异性和口服活性的非甾体抗雌激素药。

  摘要：

  DOI：

  10.1021/jm970095o

文献信息

• Active agent delivery systems and methods for protecting and administering active agents
  申请人：Mickle Travis

  公开号：US20070232529A1

  公开（公告）日：2007-10-04

  The present invention relates to active agent delivery systems and more specifically to compositions that comprise amino acids, as single amino acids or peptides, covalently attached to active agents and methods for administering conjugated active agent compositions.

  本发明涉及活性物质输送系统，更具体地涉及包含氨基酸（作为单个氨基酸或肽）与活性物质共价连接的组合物以及用于给予共轭活性物质组合物的方法。
• ACTIVE AGENT DELIVERY SYSTEMS AND METHODS FOR PROTECTING AND ADMINISTERING ACTIVE AGENTS
  申请人：Mickle Travis

  公开号：US20090253792A1

  公开（公告）日：2009-10-08

  The present invention relates to active agent delivery systems and more specifically to compositions that comprise amino acids, as single amino acids or peptides, covalently attached to active agents and methods for administering conjugated active agent compositions.

  本发明涉及活性剂递送系统，更具体地涉及包含氨基酸（作为单个氨基酸或肽）与活性剂共价连接的组合物以及给予共轭活性剂组合物的方法。
• ACTIVE AGENT DELIVERY SYSTEMS AND METHODS FOR PROTECTING AND ADMINISTERING ACTIVE AGENTS
  申请人：Mickle Travis

  公开号：US20090306228A1

  公开（公告）日：2009-12-10

  The present invention relates to active agent delivery systems and more specifically to compositions that comprise amino acids, as single amino acids or peptides, covalently attached to active agents and methods for administering conjugated active agent compositions.

  本发明涉及活性剂递送系统，更具体地涉及包含氨基酸，作为单个氨基酸或肽，与活性剂共价结合的组合物以及用于给予共轭活性剂组合物的方法。
• VERWENDUNG EINES KOMBINATIONSPRÄPARATES AUS VITAMIN-D-METABOLITEN ODER VITAMIN-D-ANALOGA UND EINES ÖSTROGENPARTIALAGONISTEN ZUR BEHANDLUNG VON OSTEOPOROSE
  申请人：Schering Aktiengesellschaft

  公开号：EP1165061B1

  公开（公告）日：2005-10-19
• Medical uses of a selective estrogen receptor modulator in combination with sex steroid precursors
  申请人：Labrie Fernand

  公开号：US20070027124A1

  公开（公告）日：2007-02-01

  Novel methods for the medical treatment and/or inhibition of the development of osteoporosis, breast cancer, hypercholesterolemia, hyperlipidemia or atherosclerosis in susceptible warm-blooded animals including humans involving administration of selective estrogen receptor modulator particularly compounds having the general structure: and an amount of a sex steroid precursor selected from the group consisting of dehydroepiandrosterone, dehydroepiandrosterone sulfate, androst-5-ene-3β,17β-diol and compounds converted in vivo to one of the foregoing precursor. Further administration of bisphosphonates in combination with selective estrogen receptor modulators and/or sex steroid precursor is disclosed for the medical treatment and/or inhibition of the development of osteoporosis. Pharmaceutical compositions for delivery of active ingredient(s) and kit(s) useful to the invention are also disclosed.