2-isopropyltetrahydropyran-4-ol | 23077-50-1

• 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-isopropyltetrahydropyran-4-ol
• 英文别名: 2-isopropyl-tetrahydro-pyran-4-ol；2-Isopropyl-4-oxy-tetrahydropyran；2-(Propan-2-yl)oxan-4-ol；2-propan-2-yloxan-4-ol
• CAS: 23077-50-1
• 化学式: C₈H₁₆O₂
• mdl: MFCD19650667
• 分子量: 144.214
• InChiKey: VRULKBRREABTGS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 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-isopropyltetrahydropyran-4-ol 在 silica gel 、 pyridinium chlorochromate 作用下， 生成 2-异丙基四氢吡喃-4-酮
  参考文献：
  名称：

  [EN] PYRANOPYRIDONE INHIBITORS OF TANKYRASE
  [FR] INHIBITEURS PYRANOPYRIDONE DE LA TANKYRASE

  摘要：

  提供的化合物具有以下公式或其药学上可接受的盐，其中X、M、Y、R1和R2的定义如本文所述。这些化合物具有抗癌活性。

  公开号：

  WO2013189904A1
• 作为产物：
  描述：

  3-丁烯-1-醇 、 异丁醛 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 18.0h， 生成 2-isopropyltetrahydropyran-4-ol
  参考文献：
  名称：

  [EN] PYRANOPYRIDONE INHIBITORS OF TANKYRASE
  [FR] INHIBITEURS PYRANOPYRIDONE DE LA TANKYRASE

  摘要：

  提供的化合物具有以下公式或其药学上可接受的盐，其中X、M、Y、R1和R2的定义如本文所述。这些化合物具有抗癌活性。

  公开号：

  WO2013189904A1

文献信息

• [EN] OXIME COMPOUNDS USEFUL AS T CELL ACTIVATORS<br/>[FR] COMPOSÉS OXIME UTILES COMME ACTIVATEURS DE LYMPHOCYTES T
  申请人：GOSSAMER BIO SERVICES INC

  公开号：WO2021258010A1

  公开（公告）日：2021-12-23

  Disclosed herein are oxime compounds having the structure of Formula (I):or a pharmaceutically acceptable salt, solvate, hydrate, isomer, tautomer, racemate, or isotope thereof, wherein R1, R2, R3, a, L, X, and Y are as defined herein. Pharmaceutical compositions comprising them, processes for preparing them and uses of them to treat or prevent diseases, disorders and conditions are also provided. The compounds are inhibitors of one or both of diacylglycerol kinase alpha (DGKα) and diacylglycerol kinase zeta (DGKζ) and are useful in the treatment of diseases, disorders and conditions related to DGKα and / or DGKζ activity. In particular, the compounds are useful for treating viral infections and proliferative disorders, such as cancer.

  本文披露了具有Formula (I)结构的肟化合物：或其药用可接受的盐、溶剂化合物、水合物、异构体、互变异构体、拉氏体、或同位素，其中R1、R2、R3、a、L、X和Y如本文所定义。还提供了包括它们的药物组合物、制备它们的方法以及用途，用于治疗或预防疾病、紊乱和状况。这些化合物是二酰甘油激酶α(DGKα)和二酰甘油激酶ζ(DGKζ)的抑制剂，并且在治疗与DGKα和/或DGKζ活性相关的疾病、紊乱和状况方面是有用的。特别地，这些化合物对于治疗病毒感染和增生性疾病，如癌症，是有用的。
• PYRANOPYRIDONE INHIBITORS OF TANKYRASE
  申请人：Hoffmann-La Roche, Inc.

  公开号：US20140121231A1

  公开（公告）日：2014-05-01

  There are provided compounds of the formula or a pharmaceutically acceptable salt thereof wherein X, M, Y, R 1 and R 2 are as defined herein. The compounds have activity as anticancer agents.

  提供以下化合物的公式或其药学上可接受的盐，其中X，M，Y，R1和R2的定义如下。这些化合物具有抗癌活性。
• Amyloid targeting agents and methods of using the same
  申请人：Amydis Diagnostics, Inc.

  公开号：US10005745B2

  公开（公告）日：2018-06-26

  Provided herein is the design and synthesis of novel molecular rotor fluorophores useful for detection of amyloid or amyloid like proteins. The fluorophores are designed to exhibit enhanced fluorescence emission upon associating with amyloid or amyloid like proteins as compared to unbound compound. Also disclosed herein are the methods for treating of diseases associated with an amyloid or amyloid like proteins.

  本文提供了可用于检测淀粉样蛋白或类似淀粉样蛋白的新型分子转子荧光团的设计与合成。与未结合的化合物相比，这些荧光团在与淀粉样蛋白或类似淀粉样蛋白结合时会表现出更强的荧光发射。本文还公开了治疗与淀粉样蛋白或类似淀粉样蛋白相关疾病的方法。
• Fragment-Based Drug Design of Novel Pyranopyridones as Cell Active and Orally Bioavailable Tankyrase Inhibitors
  作者：Javier de Vicente、Parcharee Tivitmahaisoon、Pamela Berry、David R. Bolin、Daisy Carvajal、Wei He、Kuo-Sen Huang、Cheryl Janson、Lena Liang、Christine Lukacs、Ann Petersen、Hong Qian、Lin Yi、Yong Zhuang、Johannes C. Hermann

  DOI：10.1021/acsmedchemlett.5b00251

  日期：2015.9.10

  Tankyrase activity has been linked to the regulation of intracellular axin levels, which have been shown to be crucial for the Wnt pathway. Deregulated Wnt signaling is important for the genesis of many diseases including cancer. We describe herein the discovery and development of a new series of tankyrase inhibitors. These pyranopyridones are highly active in various cell-based assays. A fragment/structure based optimization strategy led to a compound with good pharmacokinetic properties that is suitable for in vivo studies and further development.
• Enzymes in organic synthesis. 25. Heterocyclic ketones as substrates of horse liver alcohol dehydrogenase. Highly stereoselective reductions of 2-substituted tetrahydropyran-4-ones
  作者：J. Anthony Haslegrave、J. Bryan Jones

  DOI：10.1021/ja00381a025

  日期：1982.8