N,N-dimethylformamide dimethyl acetal | 52755-02-9

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: N,N-dimethylformamide dimethyl acetal
• 英文别名: DMF acetal；dimethylamino-methanediol；N,N-dimethyl-orthoformamidic acid；dimethylformamide acetal；N,N'-dimethylformamide acetal；N,N-dimethylaminomethanediol；dimethylaminomethanediol
• CAS: 52755-02-9
• 化学式: C₃H₉NO₂
• 分子量: 91.11
• InChiKey: RHWTXKAROJQBFW-UHFFFAOYSA-N

物化性质

• 沸点：
  137.4±30.0 °C(Predicted)
• 密度：
  1.129±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.8
• 重原子数：
  6
• 可旋转键数：
  1
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  43.7
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-amino-1H-indole-2-carbonitrile 、 N,N-dimethylformamide dimethyl acetal 以 N,N-二甲基甲酰胺 为溶剂， 反应 1.0h， 生成 N'-(2-cyano-1H-indol-3-yl)-N,N-dimethylformimidamide
  参考文献：
  名称：

  Exploring Kinase Inhibition Properties of 9H-pyrimido[5,4-b]- and [4,5-b]indol-4-amine Derivatives

  摘要：

  我们先前强调了6,5,6-融合三环类4-氨基喹唑啉作为激酶抑制剂在微摩尔到纳摩尔范围内的IC50值的兴趣。为了生成化学库，使用甲酰胺介导的氰基胺前体的环化反应在微波辐射下进行，采用环保的方法。为了更深入地探索这种三环骨架的药理学兴趣，中心的五元环，即噻吩或呋喃，被替换为吡咯，以制备受到harmine启发的9H-嘧啶并[5,4-b]-和[4,5-b]吲哚-4-胺衍生物。最终产品的抑制效力被测定对四种蛋白激酶（CDK5/p25、CK1δ/ε、GSK3α/β和DYRK1A）。结果，我们已经确定了有前途的化合物，靶向CK1δ/ε和DYRK1A，显示微摩尔和亚微摩尔的IC50值。

  DOI：

  10.3390/ph13050089

文献信息

• AMINO-HETEROCYCLIC COMPOUNDS
  申请人：Claffey Michelle M.

  公开号：US20100190771A1

  公开（公告）日：2010-07-29

  The invention provides PDE9-inhibiting compounds of Formula (I), and pharmaceutically acceptable salts thereof, wherein R 1 , R 2 , R 3 , A, and n are as defined herein. Pharmaceutical compositions containing the compounds of Formula I, and uses thereof in treating neurodegenerative and cognitive disorders, such as Alzheimer's disease and schizophrenia, are also provided.

  这项发明提供了式（I）中的PDE9抑制化合物，以及其药学上可接受的盐，其中R1、R2、R3、A和n的定义如本文所述。还提供了含有式I中化合物的药物组合物，并且提供了在治疗神经退行性和认知障碍疾病，如阿尔茨海默病和精神分裂症中的用途。
• Novel high affinity quinoline-based kinase ligands
  申请人：Deng Yongqi

  公开号：US20080045568A1

  公开（公告）日：2008-02-21

  Quinoline-based inhibitors of cyclin dependent kinase 2, compositions including the inhibitors, and methods of using the inhibitors and inhibitor compositions are described. The inhibitors and compositions including them are useful for treating disease or disease symptoms. The invention also provides for methods of making CDK-2 inhibitor compounds, methods of inhibiting CDK-2, and methods for treating disease or disease symptoms.

  基于喹啉的细胞周期蛋白依赖激酶2抑制剂，包括这些抑制剂的组合物，以及使用这些抑制剂和抑制剂组合物的方法。这些抑制剂和包括它们的组合物对治疗疾病或疾病症状有用。该发明还提供了制备CDK-2抑制剂化合物的方法，抑制CDK-2的方法，以及治疗疾病或疾病症状的方法。
• Processes for preparing 4-substituted indoles
  申请人：SmithKline Beckman Corporation

  公开号：US04394514A1

  公开（公告）日：1983-07-19

  A new chemical sequence for preparing indoles is disclosed whose key reactions are reaction of a o-nitrotoluene with tris(dimethylamino)methane to give a .beta.-dimethylamino-o-nitrostyrene which is converted into a semicarbazone and cyclized.

  披露了一种用于制备吲哚的新化学序列，其关键反应是对邻硝基甲苯与三(二甲基氨基)甲烷进行反应，得到β-二甲氨基-邻硝基苯乙烯，然后将其转化为半脲酮并进行环化。
• Preparation of indole containing building blocks for the regiospecific construction of indole appended pyrazoles and pyrroles
  作者：John T. Gupton、Nakul Telang、Dominic F. Gazzo、Peter J. Barelli、Kristin E. Lescalleet、Jonathan W. Fagan、Brandon J. Mills、Kara L. Finzel、Rene P.F. Kanters、Kyle R. Crocker、Sean T. Dudek、Corinne M. Lariviere、Stanton Q. Smith、Kartik M. Keertikar

  DOI：10.1016/j.tet.2013.05.045

  日期：2013.7

  appended vinamidinium salt, an indole appended vinylogous amide and an indole appended chloroenal are described. The subsequent regiospecific conversion of these indole containing building blocks to functionalized pyrazoles and pyrroles is detailed.

  描述了吲哚附加的vinamidinium盐、吲哚附加的乙烯基酰胺和吲哚附加的氯烯醛的制备。详细介绍了这些含有吲哚的结构单元到官能化吡唑和吡咯的后续区域特异性转化。
• Synthesis and evaluation of the antiovulatory activity of a variety of melatonin analogs
  作者：Michael E. Flaugh、Thomas A. Crowell、James A. Clemens、Barry D. Sawyer

  DOI：10.1021/jm00187a015

  日期：1979.1

  A series of melatonin analogues was synthesized and examined for ovulation-blocking activity. Deviation from the 5-methoxy group or substitution of the 1 position prevented activity. Activity was not particularly sensitive to minor variations in the N-acyl group nor was it significantly altered by methylation of position 2 or the alpha-methylene; however, a pronounced enhancement resulted from halogenation of the 6 position.