6-Methyl-3-piperidin-1-ylmethyl-chroman-4-one | 96402-31-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: 6-Methyl-3-piperidin-1-ylmethyl-chroman-4-one
• 英文别名: 6-Methyl-3-(piperidin-1-ylmethyl)-2,3-dihydrochromen-4-one
• CAS: 96402-31-2
• 化学式: C₁₆H₂₁NO₂
• 分子量: 259.348
• InChiKey: YXBHDUAQYFNDDX-UHFFFAOYSA-N

物化性质

• 沸点：
  408.4±44.0 °C(Predicted)
• 密度：
  1.121±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  29.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  4-甲基苯氧基丙腈 在 盐酸 作用下， 以 乙醇 为溶剂， 反应 8.0h， 生成 6-Methyl-3-piperidin-1-ylmethyl-chroman-4-one
  参考文献：
  名称：

  Khanna, J. M.; Tandon, V. K.; Kar, K., Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1985, vol. 24, p. 71 - 77

  摘要：

  DOI：

文献信息

• MITOCHONDRIAL ALDEHYDE DEHYDROGENASE-2 MODULATORS AND METHODS OF USE THEREOF
  申请人：Mochly-Rosen Daria

  公开号：US20090082431A1

  公开（公告）日：2009-03-26

  The present invention provides compounds that function as modulators of mitochondrial aldehyde dehydrogenase-2 (ALDH2) activity; and pharmaceutical compositions comprising the compounds. The present invention provides therapeutic methods involving administering a subject compound, or a subject pharmaceutical composition. The present invention further provides assays for identifying agonists of ALDH2.
• Mitochondrial Aldehyde Dehydrogenase-2 Modulators and Methods of Use Thereof
  申请人：MOCHLY-ROSEN DARIA

  公开号：US20110105602A2

  公开（公告）日：2011-05-05

  The present invention provides compounds that function as modulators of mitochondrial aldehyde dehydrogenase-2 (ALDH2) activity; and pharmaceutical compositions comprising the compounds. The present invention provides therapeutic methods involving administering a subject compound, or a subject pharmaceutical composition. The present invention further provides assays for identifying agonists of ALDH2.
• US9102651B2
  申请人：——

  公开号：US9102651B2

  公开（公告）日：2015-08-11
• US9315484B2
  申请人：——

  公开号：US9315484B2

  公开（公告）日：2016-04-19
• Khanna, J. M.; Tandon, V. K.; Kar, K., Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1985, vol. 24, p. 71 - 77
  作者：Khanna, J. M.、Tandon, V. K.、Kar, K.、Sur, R. N.

  DOI：——

  日期：——