3,3-ethanediyldioxy-5,6β-epoxy-5β-androstan-17β-ol | 70214-36-7

• 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: 3,3-ethanediyldioxy-5,6β-epoxy-5β-androstan-17β-ol
• 英文别名: 3,3-Aethandiyldioxy-5,6β-epoxy-5β-androstan-17β-ol；5β,6β-epoxy-17β-hydroxyandrostan-3-one 3-ethylene ketal；(1'S,2'R,7'S,9'R,11'S,12'S,15'S,16'S)-2',16'-dimethylspiro[1,3-dioxolane-2,5'-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadecane]-15'-ol
• CAS: 70214-36-7
• 化学式: C₂₁H₃₂O₄
• 分子量: 348.483
• InChiKey: WEWVYINRZGBTMV-BBASUTJYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  25
• 可旋转键数：
  0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  51.2
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  3,3-(ethylenedioxy)-5-androsten-17β-ol 在 过氧乙酸 、 sodium acetate 作用下， 生成 3,3-ethanediyldioxy-5,6α-epoxy-5α-androstan-17β-ol 、 3,3-ethanediyldioxy-5,6β-epoxy-5β-androstan-17β-ol
  参考文献：
  名称：

  6-Methyl Steroids in the Androstane Series¹

  摘要：

  DOI：

  10.1021/ja01550a073

文献信息

• Cooley et al., Journal of the Chemical Society, 1957, p. 4112,4114
  作者：Cooley et al.

  DOI：——

  日期：——
• ASSAY FOR CYTOCHROME P450 ISOFORMS 3A4 AND 3A5
  申请人：ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A.

  公开号：EP1799842A1

  公开（公告）日：2007-06-27
• Assay for Cytochrome P450 Isoforms 3A4 and 3A5
  申请人：Laufer Ralph

  公开号：US20080145886A1

  公开（公告）日：2008-06-19

  A rapid and sensitive radiometric assay for assessing the activity of cytochrome P450 (CYP) 3A4/5 and the potential of an analyte to inhibit CYP3A4/5 activity or induce CYP3A4/5 expression is described. All the steps of the assay, including incubations, product separation, and radioactivity counting are preferably performed in a multiwell format, which can be automated.
• [EN] ASSAY FOR CYTOCHROME P450 ISOFORMS 3A4 AND 3A5<br/>[FR] DOSAGE DES ISOFORMES 3A4 ET 3A5 DU CYTOCHROME P450
  申请人：ANGELETTI P IST RICHERCHE BIO

  公开号：WO2006037617A1

  公开（公告）日：2006-04-13

  A rapid and sensitive radiometric assay for assessing the activity of cytochrome P-450 (CYP) 3A4/5 and the potential of an analyte to inhibit CYP3A4/5 activity or induce CYP3A4/5 expression is described. All the steps of the assay, including incubations, product separation, and radioactivity counting are preferably performed in a multiwell format, which can be automated.