9β-Androst-4-en-3,17-dion | 846-47-9

• 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: 9β-Androst-4-en-3,17-dion
• 英文别名: (9β)-androst-4-ene-3,17-dione；(8R,9R,10R,13S,14S)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione
• CAS: 846-47-9
• 化学式: C₁₉H₂₆O₂
• 分子量: 286.414
• InChiKey: AEMFNILZOJDQLW-KWWJQKEASA-N

物化性质

• 熔点：
  124-125 °C
• 沸点：
  431.4±45.0 °C(Predicted)
• 密度：
  1.11±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  21
• 可旋转键数：
  0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.79
• 拓扑面积：
  34.1
• 氢给体数：
  0
• 氢受体数：
  2

文献信息

• [EN] THIOPHENEPYRIMIDINONES AS 17-BETA-HYDROXYSTEROID DEHYDROGENASE INHIBITORS<br/>[FR] THIOPHENEPYRIMIDINONES SERVANT D'INHIBITEURS DE LA 17-BETA-DEHYDROGENASE HYDROXYSTEROIDE
  申请人：SOLVAY PHARM BV

  公开号：WO2004110459A1

  公开（公告）日：2004-12-23

  This invention relates to compounds useful in therapy, especially for use in the treatment and/or prevention of a steroid hormone dependent disorder, preferably a steroid hormone dependent disease or disorder requiring the inhibition of a 170β-hydroxysteroid dehydrogenase (1 7β-HSD) such as 17β-HSD type 1, type 2 or type 3 enzyme.

  这项发明涉及在治疗中有用的化合物，特别是用于治疗和/或预防类固醇激素依赖性疾病，最好是需要抑制170β-羟基类固醇脱氢酶（17β-HSD）的类固醇激素依赖性疾病或疾病。这种抑制剂可以是17β-HSD的1型、2型或3型酶。
• SUBSTITUTED ESTRATRIENE DERIVATIVES AS 17BETA HSD INHIBITORS
  申请人：MESSINGER Josef

  公开号：US20080255075A1

  公开（公告）日：2008-10-16

  Substituted estratriene compounds of formula (I) useful in therapy, especially in the treatment or inhibition of a steroid hormone dependent disorder requiring the inhibition of a 17β-hydroxysteroid dehydrogenase (17β-HSD) type 1, type 2 and/or type 3 enzyme, as well as their salts, pharmaceutical compositions containing such compounds and processes for preparing such compounds.

  公式（I）中的替代雌三烯化合物在治疗中很有用，特别是在治疗或抑制需要抑制17β-羟基类固醇脱氢酶（17β-HSD）类型1、类型2和/或类型3酶的类固醇激素依赖性疾病方面，以及它们的盐、含有这种化合物的药物组合物和制备这种化合物的方法。
• Allylic Oxidations Catalyzed by Dirhodium Catalysts under Aqueous Conditions
  申请人：Doyle Michael P.

  公开号：US20090093638A1

  公开（公告）日：2009-04-09

  The present invention relates to compositions and methods for achieving the efficient allylic oxidation of organic molecules, especially olefins and steroids, under aqueous conditions. The invention concerns the use of dirhodium (II,II) “paddlewheel complexes, and in particular, dirhodium carboximate and tert-butyl hydroperoxide as catalysts for the reaction. The use of aqueous conditions is particularly advantageous in the allylic oxidation of 7-keto steroids, which could not be effectively oxidized using anhydrous methods, and in extending allylic oxidation to enamides and enol ethers.

  本发明涉及在水相条件下实现有机分子的高效烯丙基氧化的组合物和方法，特别是烯烃和类固醇。该发明涉及使用二铑（II,II）“桨轮”配合物，特别是二铑羧酸酯和叔丁基过氧化氢作为催化剂进行反应。在烯丙基氧化7-酮类固醇中使用水相条件特别有优势，无法使用无水方法有效氧化，以及将烯丙基氧化扩展到烯酰胺和烯醇醚。
• AFFINITY ILLUDOFULVENE CONJUGATES
  申请人：AF Chemicals, LLC,

  公开号：US20210155583A1

  公开（公告）日：2021-05-27

  In an embodiment of the invention, a composition for treating a cell population comprises a medicant. The medicant moiety can be an illudofulvene analog. In an embodiment of the invention, a composition for treating a cell population comprises an Affinity Medicant Conjugate (AMC). The affinity moiety can be an antibody, an antibody fragment, a receptor protein, a peptidic growth factor, an anti-angiogenic protein, a specific binding peptide, protease cleavable peptide, a glycopeptide, a peptide, a peptidic toxin, a protein toxin and an oligonucleotide. The affinity moiety can be covalently bound to the medicant via a linker.

  在该发明实施例中，用于治疗细胞群的组合物包括一种药物。该药物部分可以是伊卢多富烯类似物。在该发明实施例中，用于治疗细胞群的组合物包括亲和药物结合物（AMC）。亲和部分可以是抗体、抗体片段、受体蛋白、肽生长因子、抗血管生成蛋白、特异结合肽、蛋白酶可切割肽、糖肽、肽、肽毒素、蛋白毒素和寡核苷酸。亲和部分可以通过连接剂与药物共价结合。
• [EN] COMPOUNDS AND METHODS FOR TREATING NEOPLASIA<br/>[FR] COMPOSÉS ET PROCÉDÉS POUR LE TRAITEMENT DE LA NÉOPLASIE
  申请人：MEDEXIS S A

  公开号：WO2012013816A1

  公开（公告）日：2012-02-02

  The invention features compounds, pharmaceutical compositions and methods useful for the treatment of neoplasia. In particular embodiments, the compounds of the invention are useful for the treatment of multidrug resistant neoplasia.

  这项发明涉及化合物、药物组合物和用于治疗肿瘤的方法。在特定实施例中，该发明的化合物可用于治疗多药耐药性肿瘤。