17β-双氢马萘雌酮 | 1423-97-8

• 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: 17β-双氢马萘雌酮
• 中文别名: 17-二氢马萘雌酮；雌甾-1,3,5,7,9-五烯-3,17beta-二醇；17β-双氢马萘雌甾酮
• 英文名称: 17β-dihydroequilenin
• 英文别名: 17beta-Dihydroequilenin；1,3,5(10),6,8-estrapentaen-3,17β-diol；17-dihydroequilenin；(13S)-13-methyl-(13r,14t)-12,13,14,15,16,17-hexahydro-11H-cyclopenta[a]phenanthrene-3,17c-diol；(13S)-13-Methyl-(13r,14t)-12,13,14,15,16,17-hexahydro-11H-cyclopenta[a]phenanthren-3,17c-diol；(13S)-3.17c-Dihydroxy-13r-methyl-(14tH)-12.13.14.15.16.17-hexahydro-11H-cyclopenta[a]phenanthren；(13S,14S,17S)-13-methyl-11,12,14,15,16,17-hexahydrocyclopenta[a]phenanthrene-3,17-diol
• CAS: 1423-97-8
• 化学式: C₁₈H₂₀O₂
• 分子量: 268.356
• InChiKey: RYWZPRVUQHMJFF-BZSNNMDCSA-N

物化性质

• 熔点：
  214-216°C
• 沸点：
  350.53°C (rough estimate)
• 密度：
  1.1199 (rough estimate)
• 溶解度：
  二恶烷（轻微）、DMSO（轻微）、甲醇（轻微）

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  20
• 可旋转键数：
  0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  40.5
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  17β-双氢马萘雌酮 在 环己酮 、 aluminum isopropoxide 作用下， 以 甲苯 为溶剂， 生成 马萘雌酮
  参考文献：
  名称：

  CORBELLINI; GERALI; FERRARA, Farmaco, Edizione Scientifica, 1964, vol. 19, p. 913 - 922

  摘要：

  DOI：
• 作为产物：
  描述：

  Estra-1,3,5(10),6-tetraene-3,17β-diol Diacetate 在 sodium hydroxide 、 selenium(IV) oxide 作用下， 以 1,4-二氧六环 、 甲醇 为溶剂， 生成 17β-双氢马萘雌酮
  参考文献：
  名称：

  CORBELLINI; GERALI; FERRARA, Farmaco, Edizione Scientifica, 1964, vol. 19, p. 913 - 922

  摘要：

  DOI：

文献信息

• Steroid ether splitting
  申请人：Schering Aktiengesellschaft

  公开号：US03956348A1

  公开（公告）日：1976-05-11

  Ethers of aromatic steroids are cleaved to regenerate the hydroxy group with aluminum hydride, dialkylaluminum hydride or trialkylaluminum.

  芳香类固醇的醚被氢化铝、二烷基铝氢化物或三烷基铝氢化物裂解，以再生羟基。
• [EN] AMIDE AND SULFONAMIDE LIGANDS FOR THE ESTROGEN RECEPTOR<br/>[FR] LIGANDS D'AMIDES ET DE SULFONAMIDES DU RECEPTEUR OESTROGENIQUE
  申请人：PFIZER PROD INC

  公开号：WO2004026823A1

  公开（公告）日：2004-04-01

  The present invention provides estrogen receptor (ER) ligands of structural formula (I) the pharmaceutically acceptable salts, stereoisomers, and prodrugs thereof, and the pharmaceutically acceptable salts of the prodrugs, wherein R1, R2, R3, R4, R5, X, and Q are as defined herein. The invention further provides pharmaceutical compositions comprising the compounds of formula (I), and methods for treating or preventing diseases, disorders, conditions, or symptoms mediated by an ER which comprise administering to a mammalian subject in need of treatment therewith, an effective amount of a compound of formula (I), or a pharmaceutically acceptable salt, stereoisomer, or prodrug thereof, or a pharmaceutically acceptable salt of the prodrug, or a pharmaceutical composition comprising a compound of formula (I), or a pharmaceutically acceptable salt, stereoisomer, or prodrug thereof, or a pharmaceutically acceptable salt of the prodrug. The invention further provides pharmaceutical compositions comprising combinations of the compounds of formula (I) and one or more of sodium fluoride, estrogen, a bone anabolic agent, a growth hormone or growth hormone secretagogue, a prostaglandin agonist/antagonist, and a parathyroid hormone, and methods of treating or preventing diseases, disorders, conditions, or symptoms mediated by an ER comprising the administration of an effective amount of such combination to a mammalian subject in need of treatment therewith.

  本发明提供了结构式（I）的雌激素受体（ER）配体及其药用盐、立体异构体和前药，以及前药的药用盐，其中R1、R2、R3、R4、R5、X和Q如本文所定义。该发明还提供了包括式（I）化合物的药物组合物，以及用于治疗或预防由ER介导的疾病、紊乱、症状或症状的方法，包括向需要治疗的哺乳动物主体施用式（I）化合物的有效量，或其药用盐、立体异构体或前药，或前药的药用盐，或包括式（I）化合物的药物组合物，或其药用盐、立体异构体或前药，或前药的药用盐。该发明还提供了包括式（I）化合物和一种或多种氟化钠、雌激素、骨骼阳性代理、生长激素或生长激素分泌素、前列腺素激动剂/拮抗剂和甲状旁腺激素的药物组合物的药物组合物，以及治疗或预防由ER介导的疾病、紊乱、症状或症状的方法，包括向需要治疗的哺乳动物主体施用这种组合物的有效量。
• Complete1H and13C NMR spectral assignment of 17-hydroxy epimeric sterols with planar A or A and B rings
  作者：P. Ciuffreda、S. Casati、A. Manzocchi

  DOI：10.1002/mrc.1342

  日期：2004.3

  Complete 1H and 13C spectral assignments of 17β‐ and 17α‐hydroxy epimers of three biologically active sterols (boldenone, 3‐methoxyestradiol and 3‐methoxydihydroequilenin) were achieved making use of one‐ and two‐dimensional NMR techniques (1D‐HOHAHA, DEPT, COSY, NOESY, TOCSY, HSQC and COLOC). Copyright © 2004 John Wiley & Sons, Ltd.

  利用一维和二维核磁共振技术（1D-HOHAHA、DEPT、 COSY、NOESY、TOCSY、HSQC 和 COLOC）。版权所有 © 2004 John Wiley & Sons, Ltd.
• Treatments for female sexual dysfunction and methods for identifying compounds useful for treating female sexual dysfunction
  申请人：——

  公开号：US20030083228A1

  公开（公告）日：2003-05-01

  The present invention provides a method of treating female sexual dysfunction, the method comprising the step of administering to a patent, having or at risk of having one or more of the disorders or conditions associated with female sexual dysfunction, a therapeutically effective amount of a compound that attenuates the binding of agouti-related protein to melanocortin receptors, but does not attenuate the binding of &agr;-melanocyte stimulating hormone to melanocortin receptors. The present invention also provides a method of identifying a compound that is useful for the treatment or prevention of female sexual dysfunction, the method comprising the steps of: 1) determining if a compound affects the binding of agouti-related protein to melanocortin receptors; 2) determining if a compound affects the binding of &agr;-melanocyte stimulating hormone to melanocortin receptors; and 3) selecting a compound that attenuates the binding of agouti-related protein to melanocortin receptors, but does not affect the binding of &agr;-melanocyte stimulating hormone to melanocortin receptors.

  本发明提供了一种治疗女性性功能障碍的方法，该方法包括向患有或有可能患有与女性性功能障碍相关的一种或多种疾病或病况的患者施用一种治疗有效量的化合物，该化合物减弱了agouti相关蛋白与黑素皮质素受体的结合，但不影响α-黑素细胞刺激激素与黑素皮质素受体的结合。本发明还提供了一种识别对治疗或预防女性性功能障碍有用的化合物的方法，该方法包括以下步骤：1）确定化合物是否影响agouti相关蛋白与黑素皮质素受体的结合；2）确定化合物是否影响α-黑素细胞刺激激素与黑素皮质素受体的结合；以及3）选择一种减弱agouti相关蛋白与黑素皮质素受体结合的化合物，但不影响α-黑素细胞刺激激素与黑素皮质素受体的结合。
• Pharmaceutical compositions and methods comprising combinations of 2-alkylidene-19-nor-vitamin D derivatives and an estrogen
  申请人：Keys C. Sharon

  公开号：US20050063992A1

  公开（公告）日：2005-03-24

  The present invention relates to pharmaceutical compositions and methods of treatment comprising administering to a patient in need thereof a combination of a 2-alkylidene-19-nor-vitamin D derivative and an estrogen, or a pharmaceutically acceptable salt or prodrug thereof. Particularly, the present invention relates to pharmaceutical compositions and methods of treatment comprising administering to a patient in need thereof 2-methylene-19-nor-20(S)-1α,25-dihydroxyvitamin D 3 and an estrogen, or a pharmaceutically acceptable salt or prodrug thereof.

  本发明涉及药物组合物和治疗方法，包括向需要的患者施用2-烷基亚甲基-19-去氢维生素D衍生物和雌激素的组合物，或其药用盐或前药。特别地，本发明涉及药物组合物和治疗方法，包括向需要的患者施用2-亚甲基-19-去氢-20(S)-1α,25-二羟基维生素D3和雌激素，或其药用盐或前药。