17α-hydroxymethylestra-1,3,5(10)-triene-3,17-diol | 54850-06-5

• 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-hydroxymethylestra-1,3,5(10)-triene-3,17-diol
• 英文别名: (8R,9S,13S,14S,17S)-17-(hydroxymethyl)-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
• CAS: 54850-06-5
• 化学式: C₁₉H₂₆O₃
• 分子量: 302.414
• InChiKey: NINHPFOVRSVKMM-ZSXDVEMLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  22
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.68
• 拓扑面积：
  60.7
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  (8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,13,14,15,16-decahydrospiro[cyclopenta[a] phenanthrene-17,2'-oxiran]-3-ol 在 N-甲基吡咯烷酮 、 sodium hydroxide 作用下， 生成 17α-hydroxymethylestra-1,3,5(10)-triene-3,17-diol
  参考文献：
  名称：

  Horhold; Hubner; Ponsold, Pharmazie, 1975, vol. 30, # 1, p. 35 - 41

  摘要：

  DOI：

文献信息

• Method for releasing a product comprising chemical oxidation, method for detecting said product and uses thereof
  申请人：Reymond Jean-Louis

  公开号：US20070099257A1

  公开（公告）日：2007-05-03

  This invention has as its object a method for releasing a product by subjecting a compound of Formula (II′): R′ 7 R′ 8 (HX)C 1 -C 2 (YH)R′ 9 R′ 10 to a chemical oxidation that cleaves the bond C 1 -C 2 to obtain the product. In the compound of Formula (II′): R′ 7 to R′ 10 , which are identical or different, correspond to a hydrogen atom, a substituted or unsubstituted alkyl group, or a substituted or unsubstituted functional group; X and Y, which are identical or different, are an oxygen atom, a sulfur atom, or an amine of Formula —NR 11 R 12 , wherein R 11 is a hydrogen atom, an alkyl group, or a substituted or unsubstituted aryl group, and R 12 is not a hydrogen atom. The invention also has as its object a method for releasing a product that comprises, before the chemical oxidation stage, a first step for preparing the compound of Formula (II′). The released product can be a volatile molecule or an active substance or else a specific product. The invention also relates to a method for detecting the released product as well as its applications, in particular for detecting catalytic or enzymatic activities.

  本发明的目的是通过将式（II'）的化合物暴露于化学氧化作用下，断裂C1-C2键获得产品的方法。在式（II'）的化合物中，R'7到R'10是相同或不同的氢原子、取代或未取代的烷基或取代或未取代的功能基团；X和Y是相同或不同的氧原子、硫原子或式—NR11R12的胺，其中R11是氢原子、烷基或取代或未取代的芳基，而R12不是氢原子。本发明还涉及在化学氧化阶段之前，制备式（II'）化合物的第一步骤的释放产品的方法。释放的产品可以是挥发性分子、活性物质或特定产品。本发明还涉及检测释放产品的方法及其应用，特别是用于检测催化或酶活性。
• Species differences in biotransformation of 17α-cyanomethylestradiol 3-methyl ether
  作者：G. Hobe、R. Schön、W. Schade

  DOI：10.1016/0039-128x(80)90013-6

  日期：1980.8

  Following oral administration of 9,11-3H-17 alpha-cyanomethylestra-1,3,5(10)-triene-3,17-diol 3-methyl ether, urinary metabolites were studied in man, baboon, beagle dog, minipig and rat. The metabolite pattern revealed remarkable species differences, especially in quantitative respects. 17 alpha-Cyanomethylestra-1,3,5(10)triene-3,17-diol, 17 alpha-cyanomethylestra-1,3,5(10)-triene-2,3,17-triol 2-methyl ether, 17 alpha-hydroxymethylestra-1,3,5(10)-triene-3,17-diol and 17 alpha-cyanomethylestra-1,3,5(10)-triene-3,16 xi, 17-triol were isolated as principal metabolites. In rat bile, a metabolite was tentatively identified as a gamma-lactone of a 17 alpha-carboxymethyl-16 alpha-hydroxy compound.
• US8741593B2
  申请人：——

  公开号：US8741593B2

  公开（公告）日：2014-06-03
• Horhold; Hubner; Ponsold, Pharmazie, 1975, vol. 30, # 1, p. 35 - 41
  作者：Horhold、Hubner、Ponsold、et al.

  DOI：——

  日期：——