2,2-dimethyl-5-(N-methylaminomethylene)-1,3-dioxane-4,6-dione | 111286-54-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2,2-dimethyl-5-(N-methylaminomethylene)-1,3-dioxane-4,6-dione
• 英文别名: 2,2-dimethyl-5-methylaminomethylene-1,3-dioxane-4,6-dione；1,3-Dioxane-4,6-dione, 2,2-dimethyl-5-[(methylamino)methylene]-；2,2-dimethyl-5-(methylaminomethylidene)-1,3-dioxane-4,6-dione
• CAS: 111286-54-5
• 化学式: C₈H₁₁NO₄
• 分子量: 185.18
• InChiKey: CVYSDNOSZZRTER-UHFFFAOYSA-N

物化性质

• 沸点：
  381.7±42.0 °C(Predicted)
• 密度：
  1.37 g/cm3

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  64.6
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  5-(甲氧基甲烯基)-2,2-二甲基-1,3-二氧己环-4,6-二酮 、 甲胺 以 乙腈 为溶剂， 反应 0.17h， 以98%的产率得到2,2-dimethyl-5-(N-methylaminomethylene)-1,3-dioxane-4,6-dione
  参考文献：
  名称：

  Blake, Alexander J.; Hunter, Gordon A.; McNab, Hamish, Journal of Chemical Research, Miniprint, 1989, # 5, p. 921 - 943

  摘要：

  DOI：

文献信息

• [EN] AKT3 MODULATORS<br/>[FR] MODULATEURS DE AKT3
  申请人：GEORGIAMUNE LLC

  公开号：WO2021226458A1

  公开（公告）日：2021-11-11

  Compounds of Formula la, lb, or Ic, (Ia); (Ib); or (Ic), are described, where the various substituents are defined herein. The compounds can modulate a property or effect of Akt3 in vitro or in vivo, and can also be used, individually or in combination with other agents, in the prevention or treatment of a variety of conditions. Methods for synthesizing the compounds are described. Pharmaceutical compositions and methods of using these compounds or compositions, individually or in combination with other agents or compositions, in the prevention or treatment of a variety of conditions are also described.

  本文描述了化合物la、lb或Ic的公式(Ia)；(Ib)；或(Ic)，其中各种取代基在此处定义。这些化合物可以在体外或体内调节Akt3的性质或效果，并且还可以单独或与其他药剂结合在预防或治疗各种疾病方面使用。描述了合成这些化合物的方法。还描述了药物组合物和使用这些化合物或组合物的方法，单独或与其他药剂或组合物结合在预防或治疗各种疾病方面。
• Unimolecular chemistry of oxazole and isoxazole radical cations in the gas phase: Combined experimental and molecular orbital study
  作者：R. Flammang、M. Plisnier、G. Bouchoux、Y. Hoppilliard、S. Humbert、C. Wentrup

  DOI：10.1002/oms.1210270326

  日期：1992.3

  AbstractMolecular radical cations of oxazole (1) and isoxazole (2) dissociate by losing carbon monoxide or a hydrogen atom, respectively. These fragmentations were examined by use of tandem mass spectrometry, flash vacuum pyrolysis and ab initiomolecular orbital calculations. A multi‐step mechanism is proposed which incorporates these new experimental and theoretical data. The case of methylated homologues of 1 and 2 is also considered.
• [EN] COMPOUNDS FOR THE TREATMENT OF KINASE-DEPENDENT DISORDERS<br/>[FR] COMPOSÉS DESTINÉS AU TRAITEMENT DE TROUBLES DÉPENDANT DE LA KINASE
  申请人：EXELIXIS INC

  公开号：WO2019148044A1

  公开（公告）日：2019-08-01

  Disclosed herein are compounds of formula I. Compounds of formula I inhibit, regulate and/or modulate kinase receptor, particularly Axl and Mer signal transduction pathways related to the changes in cellular activities as mentioned above, compositions which contain these compounds, and methods of using them to treat kinase-dependent diseases and conditions. The present invention also provides methods for making compounds as mentioned above, and compositions which contain these compounds.
• Blake, Alexander J.; Hunter, Gordon A.; McNab, Hamish, Journal of Chemical Research, Miniprint, 1989, # 5, p. 921 - 943
  作者：Blake, Alexander J.、Hunter, Gordon A.、McNab, Hamish

  DOI：——

  日期：——