(1S,4S,5S)-4-hydroxy-6-oxabicyclo[3.2.1]octan-7-one | 1292817-11-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 内酯类
• 英文名称: (1S,4S,5S)-4-hydroxy-6-oxabicyclo[3.2.1]octan-7-one
• CAS: 1292817-11-8
• 化学式: C₇H₁₀O₃
• 分子量: 142.155
• InChiKey: FJEHNJSXWDSJJG-ZLUOBGJFSA-N

物化性质

• 沸点：
  338.1±25.0 °C(Predicted)
• 密度：
  1.322±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (1S,4S,5S)-4-hydroxy-6-oxabicyclo[3.2.1]octan-7-one 在 4-甲基苯磺酸吡啶 甲醇 、 全氟丁基磺酰氟 、 水 、 溶剂黄146 、 triethylamine tris(hydrogen fluoride) 、 三乙胺 、 potassium hydroxide 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 6.0h， 生成 3-fluoro-4-hydroxycyclohexanecarboxylate
  参考文献：
  名称：

  [EN] NOVEL MACROCYCLES AND METHODS FOR THEIR PRODUCTION
  [FR] NOUVEAUX MACROCYLES ET LEURS PROCÉDÉS DE PRODUCTION

  摘要：

  提供的化合物具有以下式（I）或其药用盐：其中变量R1-R4和X如描述中所述，这些化合物可用作具有减少系统效应的抗炎药物。

  公开号：

  WO2011045594A1

文献信息

• Production Of Polyketides And Other Natural Products
  申请人：Gregory Matthew Alan

  公开号：US20090253732A1

  公开（公告）日：2009-10-08

  The present invention relates to production of polyketides and other natural products and to libraries of compounds and individual novel compounds. Therefore in aspect the present invention provides 17-desmethylrapamycin and analogues thereof, methods for their production, including recombinant strains, and isolation and uses of the compounds of the invention. In a further aspect the present invention provides for the use of 17-desmethylrapamycin and analogues thereof in the induction or maintenance of immunosuppression, the stimulation of neuronal regeneration or the treatment of cancer, B-cell malignancies, fungal infections, transplantation rejection, graft vs. host disease, autoimmune disorders, diseases of inflammation vascular disease and fibrotic diseases, and in the regulation of wound healing.

  本发明涉及聚酮类化合物和其他天然产物的生产，以及化合物库和独特新化合物的制备。因此，本发明提供了17-去甲基拉帕霉素及其类似物，包括重组菌株的制备方法，以及本发明化合物的分离和用途。此外，本发明还提供了将17-去甲基拉帕霉素及其类似物用于诱导或维持免疫抑制、促进神经再生或治疗癌症、B细胞恶性肿瘤、真菌感染、移植排斥、移植物抗宿主病、自身免疫性疾病、炎症性血管疾病和纤维化疾病的调节。
• RAPAMYCIN ANALOGUES AND THEIR PHARMACEUTICAL USE
  申请人：Isomerase Therapeutics Limited

  公开号：US20160176893A1

  公开（公告）日：2016-06-23

  Novel rapamycin analogues and methods for their production with FKBP and/or MIP inhibitory activity with reduced mTOR inhibitory activity with therapeutic potential e.g. as bacterial virulence inhibitors.

  小说雷帕霉素类似物及其生产方法，具有FKBP和/或MIP抑制活性，同时减少mTOR抑制活性，具有治疗潜力，例如作为细菌毒力抑制剂。
• 17-Desmethylrapamycin and analogues thereof, methods for their production and their use as immunosupressants, anticancer agents, antifungal agents etc.
  申请人：Biotica Technology Limited

  公开号：EP2471797A2

  公开（公告）日：2012-07-04

  The present invention relates to production of polyketides and other natural products and to libraries of compounds and individual novel compounds. Therefore in one aspect the present invention provides 17-desmethylrapamycin and analogues thereof, methods for their production, including recombinant strains, and isolation and uses of the compounds of the invention. In a further aspect the present invention provides for the use of 17-desmethylrapamycin and analogues thereof in the induction or maintenance of immunosuppression, the stimulation of neuronal regeneration or the treatment of cancer, B-cell malignancies, fungal infections, transplantation rejection, graft vs. host disease, autoimmune disorders, diseases of inflammation vascular disease and fibrotic diseases, and in the regulation of wound healing.

  本发明涉及多酮类化合物和其他天然产物的生产，以及化合物库和单个新型化合物。因此，在一个方面，本发明提供了 17-去甲基拉帕霉素及其类似物、其生产方法（包括重组菌株）以及本发明化合物的分离和用途。在另一个方面，本发明提供了17-去甲基拉帕霉素及其类似物在诱导或维持免疫抑制、刺激神经元再生或治疗癌症、B细胞恶性肿瘤、真菌感染、移植排斥反应、移植物对宿主疾病、自身免疫性疾病、炎症性血管疾病和纤维化疾病以及调节伤口愈合中的用途。
• Production of polyketides and other natural products
  申请人：Biotica Technology Limited

  公开号：EP1589031B1

  公开（公告）日：2007-08-15
• 17-DESMETHYLRAPAMYCIN AND ANALOGUES THEREOF, METHODS FOR THEIR PRODUCTION AND THEIR USE AS IMMUNOSUPRESSANTS, ANTICANCER AGENTS, ANTIFUNGAL AGENTS ETC.
  申请人：Buck Institute for Research on Aging

  公开号：EP2471797B1

  公开（公告）日：2016-02-03