Spiro<2.4>heptan-5-ol | 19740-30-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: Spiro<2.4>heptan-5-ol
• 英文别名: spiro[2.4]heptan-5-ol；Spiro<2,4>heptanol-(5)；spiro[2.4]heptan-6-ol
• CAS: 19740-30-8
• 化学式: C₇H₁₂O
• 分子量: 112.172
• InChiKey: SXUIBYVJKCKGSE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  8
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  Spiro<2.4>heptan-5-ol 在 chromium(VI) oxide 、 硫酸 作用下， 以 丙酮 为溶剂， 生成 spiro{2.4}heptan-5-one
  参考文献：
  名称：

  The synthesis and solvolytic rearrangement of the spiro[2.3] hexane-4-methanol system

  摘要：

  DOI：

  10.1021/ja01016a043
• 作为产物：
  描述：

  spiro<2,4>hept-4-ene 在 alkaline medium 、 双氧水 、 diborane(6) 作用下， 以89%的产率得到Spiro<2.4>heptan-5-ol
  参考文献：
  名称：

  Kirmse, Wolfgang; Rode, Klaus, Chemische Berichte, 1987, vol. 120, p. 839 - 846

  摘要：

  DOI：

文献信息

• Synthesis, SAR and biological evaluation of 1,6-disubstituted-1H-pyrazolo[3,4-d]pyrimidines as dual inhibitors of Aurora kinases and CDK1
  作者：Jean-Yves Le Brazidec、Angela Pasis、Betty Tam、Christina Boykin、Cheryl Black、Deping Wang、Gisela Claassen、Jer-Hong Chong、Jianhua Chao、Junhua Fan、Khanh Nguyen、Laura Silvian、Leona Ling、Lin Zhang、Michael Choi、Min Teng、Nuzhat Pathan、Shuo Zhao、Tony Li、Art Taveras

  DOI：10.1016/j.bmcl.2012.01.019

  日期：2012.3

  Since the early 2000s, the Aurora kinases have become major targets of oncology drug discovery particularly Aurora-A and Aurora-B kinases (AKA/AKB) for which the selective inhibition in cells lead to different phenotypes. In addition to targeting these Aurora kinases involved in mitosis, CDK1 has been added as a primary inhibition target in hopes of enhancing the cytotoxicity of our chemotypes harboring the pyrazolopyrimidine core. SAR optimization of this series using the AKA, AKB and CDK1 biochemical assays led to the discovery of the compound 7h which combines strong potency against the 3 kinases with an acceptable microsomal stability. Finally, switching from a primary amide to a two-substituted pyrrolidine amide gave rise to compound 15a which exhibited the desired AKA/CDK1 inhibition phenotype in cells but showed moderate activity in animal models using HCT116 tumor cell lines. (C) 2012 Elsevier Ltd. All rights reserved.
• KIRMSE, W.;RODE, K., CHEM. BER., 120,(1987) N 5, 839-846
  作者：KIRMSE, W.、RODE, K.

  DOI：——

  日期：——
• JAK2 INHIBITOR COMPOUNDS
  申请人：[en]AJAX THERAPEUTICS, INC.

  公开号：WO2024044486A1

  公开（公告）日：2024-02-29

  Described herein are compounds that are JAK2 inhibitors, methods of making such compounds, pharmaceutical compositions and medicaments comprising such compounds, and methods of using such compounds in the treatment of diseases or conditions associated with JAK2 activity.