17α-ethynylandrost-5-ene-3β,7β,17β-triol | 1001100-69-1

• 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: 17α-ethynylandrost-5-ene-3β,7β,17β-triol
• 英文别名: Triolex；(3S,7R,8R,9S,10R,13S,14S,17R)-17-ethynyl-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,7,17-triol
• CAS: 1001100-69-1
• 化学式: C₂₁H₃₀O₃
• 分子量: 330.467
• InChiKey: JJKOQZHWYLMASZ-FJWDNACWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  24
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.81
• 拓扑面积：
  60.7
• 氢给体数：
  3
• 氢受体数：
  3

ADMET

吸收、分配和排泄

• 吸收

在小鼠中，口服生物利用度最高可达25%。

Up to 25% oral bioavailability in mice.

来源:DrugBank

反应信息

• 作为产物：
  描述：

  3β,7β-bis-(trimethylsiloxy)-5-androsten-17-one 以83的产率得到17α-ethynylandrost-5-ene-3β,7β,17β-triol
  参考文献：
  名称：

  Method for preparing substituted 3,7-dihydroxy steroids

  摘要：

  本发明涉及制备17-炔基-7-羟基类固醇的过程，例如17-乙炔基-10R，13S-二甲基2,3,4,7,8R,9S,10,11,12,13,14S,15,16,17-十六烷基-1H-环戊[a]苯并[3R,7R,17S]-三醇（也称为17α-乙炔基-雄酮-5-烯-3β，7β，17β-三醇），该过程基本上不含有核雌激素受体结合活性的过程杂质。

  公开号：

  US09994608B2

文献信息

• [EN] METHODS FOR PREPARING 17-ALKYNYL-7-HYDROXY STEROIDS AND RELATED COMPOUNDS<br/>[FR] PROCÉDÉS DE PRÉPARATION DE COMPOSÉS 17-ALKYNYL-7-HYDROXY STÉROÏDES ET COMPOSÉS ASSOCIÉS
  申请人：HOLLIS EDEN PHARMACEUTICALS

  公开号：WO2009149392A1

  公开（公告）日：2009-12-10

  The invention relates to processes for preparing 17-alkynyl-7-hydroxy- steroids, such as 17-Ethynyl-10R13S-dimethyl 2,3,4,7,8R,9S, 10,11,12,13,14S,15,16,17-hexadecahydro-1 H-cyclopenta[a]phenanthrene- 3R,7R,17S-triol (also referred to as 17α-ethynyl-androst-5-ene-3β,7β,17β-triol), that are essentially free of process impurities having binding activity at nuclear estrogen receptors.

  该发明涉及制备17-炔基-7-羟基类固醇的过程，例如17-乙炔基-10R13S-二甲基2,3,4,7,8R,9S,10,11,12,13,14S,15,16,17-十六氢-1H-环戊[α]苯并-3R,7R,17S-三醇（也称为17α-乙炔基-雄烯-5-烯-3β,7β,17β-三醇），这些类固醇基本上不含有在核雌激素受体上具有结合活性的工艺杂质。
• METHODS FOR PREPARING 17-ALKYNYL-7-HYDROXY STEROIDS AND RELATED COMPOUNDS
  申请人：White Steven K.

  公开号：US20090326251A1

  公开（公告）日：2009-12-31

  The invention relates to processes for preparing 17-alkynyl-7-hydroxy-steroids, such as 17-Ethynyl-10R,13S-dimethyl 2,3,4,7,8R,9S, 10,11,12,13,14S,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene-3R,7R,17S-triol (also referred to as 17α-ethynyl-androst-5-ene-3β,7β,17β-triol), that are essentially free of process impurities having binding activity at nuclear estrogen receptors.

  本发明涉及制备17-炔基-7-羟基类固醇的过程，例如17-乙炔基-10R,13S-二甲基2,3,4,7,8R,9S,10,11,12,13,14S,15,16,17-十六烷基-1H-环戊[a]苯并[3R,7R,17S]-三醇（也称为17α-乙炔基-雄甾-5-烯-3β,7β,17β-三醇），其基本上不含有核雌激素受体结合活性的过程杂质。
• Drug Screen and Treatment Method
  申请人：Flores-Riveros Jaime

  公开号：US20080221074A1

  公开（公告）日：2008-09-11

  The invention relates to methods identify or characterize compounds that can be used to treat specified clinical disorders such as hyperglycemia and type 2 diabetes. Compounds that can be used in these methods include 4α-fluoro-17α-ethynylandrost-5-ene-3β,7β,17β-triol, 4α-fluoro-17α-ethynylandrost-5-ene-3β,7α,17β-triol, 4α-fluoro-17α-ethynylandrost-5-ene-3α,7β,17β-triol and 4α-fluoro-17α-ethynylandrost-5-ene-3β,17β-triol-7-one.

  本发明涉及用于治疗特定临床疾病，如高血糖和2型糖尿病的化合物的鉴定或表征方法。可以在这些方法中使用的化合物包括4α-氟-17α-乙炔基雄烯-5-烯-3β，7β，17β-三醇，4α-氟-17α-乙炔基雄烯-5-烯-3β，7α，17β-三醇，4α-氟-17α-乙炔基雄烯-5-烯-3α，7β，17β-三醇和4α-氟-17α-乙炔基雄烯-5-烯-3β，17β-三醇-7-酮。
• Drug Screening and Treatment Methods
  申请人：Flores-Riveros Jaime

  公开号：US20080146532A1

  公开（公告）日：2008-06-19

  The invention relates to methods identify or characterize compounds that can be used to treat specified clinical disorders such as hyperglycemia and type 2 diabetes. Compounds that can be used in these methods include 4α-fluoro-17α-ethynylandrost-5-ene-3β, 7β,17β-triol, 4α-fluoro-17α-ethynylandrost-5-ene-3β,7α,17β-triol, 4α-fluoro-17α-ethynylandrost-5-ene-3α,7β,17β-triol and 4α-fluoro-17α-ethynylandrost-5-ene-3β,17β-triol-7-one.

  本发明涉及一种用于识别或表征可用于治疗特定临床疾病如高血糖和2型糖尿病的化合物的方法。可用于这些方法的化合物包括4α-氟-17α-乙炔基雄烯-5-烯-3β,7β,17β-三醇，4α-氟-17α-乙炔基雄烯-5-烯-3β,7α,17β-三醇，4α-氟-17α-乙炔基雄烯-5-烯-3α,7β,17β-三醇和4α-氟-17α-乙炔基雄烯-5-烯-3β,17β-三醇-7-酮。
• Drug Identification and Treatment Method
  申请人：Frincke James M.

  公开号：US20080153792A1

  公开（公告）日：2008-06-26

  The invention relates to methods to identify compounds that can treat autoimmune conditions and treat specified clinical disorders such as multiple sclerosis, ulcerative colitis or arthritis. Compounds include 17α-ethynylandrost-5-ene-3β,15β,7α,17β-tetrol, 4α-acetoxy-17α-ethynylandrost-5-ene-3β,7β,17β-triol, 17α-ethynylandrost-5-ene-3β,4β,7α,17β-tetrol, 17α-ethynylandrost-5-ene-3α,4β,7α,17β-tetrol and 17α-ethynylandrost-5-ene-3α,4β,17β-triol-7-one.

  本发明涉及一种识别能够治疗自身免疫疾病和治疗特定临床疾病（如多发性硬化症、溃疡性结肠炎或关节炎）的化合物的方法。这些化合物包括17α-乙炔基雄烯-5-烯-3β,15β,7α,17β-四醇，4α-乙酰氧基-17α-乙炔基雄烯-5-烯-3β,7β,17β-三醇，17α-乙炔基雄烯-5-烯-3β,4β,7α,17β-四醇，17α-乙炔基雄烯-5-烯-3α,4β,7α,17β-四醇和17α-乙炔基雄烯-5-烯-3α,4β,17β-三醇-7-酮。