4-[[(3S,10R,13S,17S)-17-(3-carboxypropanoyloxy)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-4-oxobutanoic acid

• 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: 4-[[(3S,10R,13S,17S)-17-(3-carboxypropanoyloxy)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-4-oxobutanoic acid
• 化学式: C₂₇H₃₈O₈
• 分子量: 490.6
• InChiKey: CRDRINOGSPIHBH-NBLBDZEMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  35
• 可旋转键数：
  10
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  127
• 氢给体数：
  2
• 氢受体数：
  8

文献信息

• Selective Estrogen Receptor Modulator in Combination With Dehydroepiandrosterone (DHEA) or Analogues
  申请人：ENDORECHERCHE INC.

  公开号：EP2399582B1

  公开（公告）日：2014-03-26
• 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.
• PHARMACEUTICAL COMPOSITIONS AND USES FOR ANDROST-5-ENE-3BETA, 17BETA-DIOL
  申请人：Labrie Fernand

  公开号：US20080161277A1

  公开（公告）日：2008-07-03

  Androst-5-ene-3β,17β diol is used to treat or reduce the likelihood of acquiring osteoporosis or menopausal symptoms, or other diseases affected by estrogen receptor activity, and for conditions which respond well to DHEA treatment, but where a higher ratio of estrogenic to androgenic effects is desired. Combination therapies are included, as are kits and pharmaceutical compositions for providing the active ingredients of claimed methods and combinations.
• METHODS OF TREATING OR PREVENTING ESTROGEN-RELATED DISEASES
  申请人：Labrie Fernand

  公开号：US20110312925A1

  公开（公告）日：2011-12-22

  Methods for treating or reducing the likelihood of acquiring estrogen-related (e.g. estrogen-exacerbated) diseases including endometriosis include administering to a patient a selective estrogen receptor modulator (SERM), in combination with inhibiting ovarian secretions, e.g., by administering an LHRH agonist or antagonist. In some embodiments, a precursor of sex steroids, said precursor being selected from the group consisting of dehydroepiandrosterone (DHEA), dehydroepiandrosterone sulfate (DHEA-S), androst-5-ene-3β,17β-diol (5-diol), and androstenedione or a compound transformed into one of these, is also administered
• US7429576B2
  申请人：——

  公开号：US7429576B2

  公开（公告）日：2008-09-30