hydroxytestosterone (OHT) | 1758-16-3

• 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: hydroxytestosterone (OHT)
• 英文别名: OHT；19-Hydroxytestosteron；17-Hydroxy-10-(hydroxymethyl)-13-methyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
• CAS: 1758-16-3；2126-37-6；77123-11-6
• 化学式: C₁₉H₂₈O₃
• 分子量: 304.43
• InChiKey: YLTCTXBDDHSLCS-UHFFFAOYSA-N

物化性质

• 熔点：
  199.5-201 °C
• 沸点：
  486.1±45.0 °C(Predicted)
• 密度：
  1.19±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  22
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.84
• 拓扑面积：
  57.5
• 氢给体数：
  2
• 氢受体数：
  3

文献信息

• P450 BM3 MONOOXYGENASE VARIANTS FOR C19-HYDROXYLATION OF STEROIDS
  申请人：Bayer Aktiengesellschaft

  公开号：EP3858986A1

  公开（公告）日：2021-08-04

  The present invention relates to novel recombinant Bacillus megaterium cytochrome P450-monooxygenase (P450-BM3) variants for the C19 hydroxylation of steroids and derivatives thereof. In particular, the present invention also relates to methods and processes using P450-BM3 variants for the production of estrone and estradiol. The invention further relates to nucleotide sequences, constructs and vectors for the expression of these P450-BM3 variants

  本发明涉及新型重组巨芽孢杆菌细胞色素 P450-单加氧酶（P450-BM3）变体，用于类固醇及其衍生物的 C19 羟基化。特别是，本发明还涉及使用 P450-BM3 变体生产雌酮和雌二醇的方法和工艺。本发明还涉及用于表达这些 P450-BM3 变体的核苷酸序列、构建体和载体
• USE OF 7 APHA-SUBSTITUTED STEROIDS TO TREAT NEUROPSYCHIATRIC DISORDERS
  申请人：THE UNIVERSITY OF EDINBURGH

  公开号：EP0954317B1

  公开（公告）日：2007-06-06
• [EN] P450 BM3 MONOOXYGENASE VARIANTS FOR C19-HYDROXYLATION OF STEROIDS<br/>[FR] VARIANTS DE LA MONO-OXYGÉNASE P450 BM3 POUR L'HYDROXYLATION EN C19 DE STÉROÏDES
  申请人：BAYER AG

  公开号：WO2021156200A1

  公开（公告）日：2021-08-12

  The present invention relates to novel recombinant Bacillus megaterium cytochrome P450-monooxygenase (P450-BM3) variants for the C19 hydroxylation of steroids and derivatives thereof or for improved BM3 protein expression. In particular, the present invention also relates to methods and processes using P450-BM3 variants for the production of estrone and estradiol. The invention further relates to nucleotide sequences, constructs and vectors for the expression of these P450-BM3 variants