2-(tetrahydropyran-4-yl)propan-2-ol | 179096-59-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氧烷类
• 英文名称: 2-(tetrahydropyran-4-yl)propan-2-ol
• 英文别名: 2-(Oxan-4-yl)propan-2-ol
• CAS: 179096-59-4
• 化学式: C₈H₁₆O₂
• 分子量: 144.214
• InChiKey: QTYOMTKXFBGPTJ-UHFFFAOYSA-N

物化性质

• 沸点：
  118-123 °C(Press: 23 Torr)
• 密度：
  0.996±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  29.5
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-(tetrahydropyran-4-yl)propan-2-ol 在 盐酸 、 硫酸 、 溶剂黄146 作用下， 以 水 为溶剂， 反应 5.5h， 生成 1-methyl-1-(tetrahydropyran-4-yl)ethylamine
  参考文献：
  名称：

  通过基于蛋白质结构的迭代设计生成的HIV-1蛋白酶的双叔酰胺抑制剂。

  摘要：

  已经鉴定出一系列有效的HIV蛋白酶非肽抑制剂。利用与HIV蛋白酶结合的化合物3的结构，设计并制备了双叔酰胺抑制剂9。发现化合物9的效力是3的约17倍，并且9的蛋白质-配体复合物的结构显示抑制剂相对于3以反向结合模式结合。对9的蛋白质-配体复合物的检查表明有几种修饰在P1和P1'的口袋中。通过这些修饰，有可能将抑制剂的活性再提高100倍，从而突出了晶体学反馈在抑制剂设计中的实用性。发现这些化合物在细胞培养中具有良好的抗病毒活性，对HIV蛋白酶具有选择性，并且可以在三种动物模型中口服获得。

  DOI：

  10.1021/jm960092w
• 作为产物：
  描述：

  四氢吡喃-4-甲酸 、 甲基锂 生成 2-(tetrahydropyran-4-yl)propan-2-ol
  参考文献：
  名称：

  通过基于蛋白质结构的迭代设计生成的HIV-1蛋白酶的双叔酰胺抑制剂。

  摘要：

  已经鉴定出一系列有效的HIV蛋白酶非肽抑制剂。利用与HIV蛋白酶结合的化合物3的结构，设计并制备了双叔酰胺抑制剂9。发现化合物9的效力是3的约17倍，并且9的蛋白质-配体复合物的结构显示抑制剂相对于3以反向结合模式结合。对9的蛋白质-配体复合物的检查表明有几种修饰在P1和P1'的口袋中。通过这些修饰，有可能将抑制剂的活性再提高100倍，从而突出了晶体学反馈在抑制剂设计中的实用性。发现这些化合物在细胞培养中具有良好的抗病毒活性，对HIV蛋白酶具有选择性，并且可以在三种动物模型中口服获得。

  DOI：

  10.1021/jm960092w

文献信息

• PI-kinase inhibitors with anti-infective activity
  申请人：The Board of Trustees of the Leland Stanford Junior University

  公开号：US11091472B2

  公开（公告）日：2021-08-17

  Compounds and methods are provided for the treatment of pathogen infections. In some embodiments, the anti-infective compounds have broad spectrum activity against a variety of infective diseases, where the diseases are caused by pathogens containing a basic amino acid PIP-2 pincer (BAAPP) domain that interacts with phosphatidylinositol 4,5-bisphosphate (PIP-2) to mediate pathogen replication. Also provided are methods of inhibiting a PI4-kinase and methods of inhibiting viral infection. In some embodiments, the compound is a PI4-kinase inhibiting compound that is a 5-aryl-thiazole or a 5-hetereoaryl-thiazole. The subject compounds may be formulated or provided to a subject in combination with a second anti-infective agent, e.g. interferon, ribivarin, and the like.

  本文提供了用于治疗病原体感染的化合物和方法。在一些实施方案中，抗感染化合物对各种感染性疾病具有广谱活性，其中这些疾病是由含有碱性氨基酸 PIP-2 钳子（BAAPP）结构域的病原体引起的，该结构域与磷脂酰肌醇 4,5-二磷酸（PIP-2）相互作用，介导病原体的复制。还提供了抑制 PI4 激酶的方法和抑制病毒感染的方法。在某些实施方案中，化合物是一种 PI4- 激酶抑制化合物，它是一种 5-芳基噻唑或 5-对位芳基噻唑。主体化合物可与第二种抗感染剂，如干扰素、利比伐林等结合配制或提供给主体。
• Prelog et al., Collection of Czechoslovak Chemical Communications, 1938, vol. 10, p. 399,409
  作者：Prelog et al.

  DOI：——

  日期：——
• PI-Kinase Inhibitors with Anti-Infective Activity
  申请人：The Board of Trustees of the Leland Stanford Junior University

  公开号：US20220017507A1

  公开（公告）日：2022-01-20

  Compounds and methods are provided for the treatment of pathogen infections. In some embodiments, the anti-infective compounds have broad spectrum activity against a variety of infective diseases, where the diseases are caused by pathogens containing a basic amino acid PIP-2 pincer (BAAPP) domain that interacts with phosphatidylinositol 4,5-bisphosphate (PIP-2) to mediate pathogen replication. Also provided are methods of inhibiting a PI4-kinase and methods of inhibiting viral infection. In some embodiments, the compound is a PI4-kinase inhibiting compound that is a 5-aryl-thiazole or a 5-heteroaryl-thiazole. The subject compounds may be formulated or provided to a subject in combination with a second anti-infective agent, e.g. interferon, ribivarin, and the like.
• P14-Kinase Inhibitors and Methods of Using the Same
  申请人：The Board of Trustees of the Leland Stanford Junior University

  公开号：US20220153711A1

  公开（公告）日：2022-05-19

  Compounds and methods are provided for inhibiting a PI4-kinase Methods of treating a pathogen infection and methods of treating cancer are also provided. The PI4-kinase inhibitor can be a compound that is a 5-aryl or heteroaryl-thiazole, e.g., as described herein. In certain embodiments, the PI4-kinase inhibitor is a substituted 2-amino-5-phenylthiazole or substituted 2-amino-5-pyridylthiazole compound. In some embodiments, the compounds have broad spectrum anti-infective activity against a variety of infective diseases, where the diseases are caused by pathogens containing a basic amino acid PIP-2 pincer (BAAPP) domain that interacts with phosphatidylinositol 4,5-bisphosphate (PIP-2) to mediate pathogen replication. Also provided are methods of treating a subject for cancer using a PI4-kinase inhibitor. Aspects of the methods include inhibiting PI4-kinase in a cancer cell to reduce cellular proliferation.
• [EN] PI-KINASE INHIBITORS WITH ANTI-INFECTIVE ACTIVITY<br/>[FR] INHIBITEURS DE LA PI-KINASE À ACTIVITÉ ANTI-INFECTIEUSE
  申请人：UNIV LELAND STANFORD JUNIOR

  公开号：WO2017147526A1

  公开（公告）日：2017-08-31

  Compounds and methods are provided for the treatment of pathogen infections. In some embodiments, the anti-infective compounds have broad spectrum activity against a variety of infective diseases, where the diseases are caused by pathogens containing a basic amino acid PIP-2 pincer (BAAPP) domain that interacts with phosphatidylinositol 4,5-bisphosphate (PIP-2) to mediate pathogen replication. Also provided are methods of inhibiting a PI4-kinase and methods of inhibiting viral infection. In some embodiments, the compound is a PI4-kinase inhibiting compound that is a 5-aryl-thiazole or a 5-hetereoaryl-thiazole. The subject compounds may be formulated or provided to a subject in combination with a second anti-infective agent, e.g. interferon, ribivarin, and the like.