2-[1,3-双(二甲基氨基)-2-亚丙基]丙二腈 | 91945-90-3

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 2-[1,3-双(二甲基氨基)-2-亚丙基]丙二腈
• 英文名称: 2-[1,3-bis(dimethylaminoallylidene)]malononitrile
• 英文别名: 1,1-Dicyano-2,4-bis(dimethylamino)butadiene；2-[1,3-Bis(dimethylamino)-2-propenylidene]malononitrile；2-[(E)-1,3-bis(dimethylamino)prop-2-enylidene]propanedinitrile
• CAS: 91945-90-3
• 化学式: C₁₀H₁₄N₄
• 分子量: 190.248
• InChiKey: FWKLIUPTMOVCPA-AATRIKPKSA-N

物化性质

• 熔点：
  145-147°C
• 沸点：
  416.7±45.0 °C(Predicted)
• 密度：
  1.046±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  54.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-[1,3-双(二甲基氨基)-2-亚丙基]丙二腈 在 盐酸 、 sodium hydride 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 37.83h， 生成 9-dimethylamino-2-n-butyl-3-oxa-5-thia-1,6-diazafluoren-4-one
  参考文献：
  名称：

  Structure−Activity Relationship of Triazafluorenone Derivatives as Potent and Selective mGluR1 Antagonists

  摘要：

  SAR (structure -activity relationship) studies of triazafluorenone derivatives as potent mGIuR1 antagonists are described. The triazafluorenone derivatives are non-amino acid derivatives and noncompetitive mGluR1 antagonists that bind at a putative allosteric recognition site located within the seven-transmembrane domain of the receptor. These triazafluorenone derivatives are potent, selective, and systemically active mGluR1 antagonists. Compound 1n, for example, was a very potent mGIuR1 antagonist IC50 = 3 nM) and demonstrated full efficacy in various in vivo animal pain models.

  DOI：

  10.1021/jm0504407
• 作为产物：
  描述：

  [1-(二甲基氨基)亚乙基]丙二腈 、 N,N-二甲基甲酰胺二乙基缩醛 反应 1.0h， 以70%的产率得到2-[1,3-双(二甲基氨基)-2-亚丙基]丙二腈
  参考文献：
  名称：

  Granik, V. G.; Grizik, S. I.; Solov'eva, N. P., Journal of Organic Chemistry USSR (English Translation), 1984, vol. 20, # 3, p. 613 - 617

  摘要：

  DOI：

文献信息

• Antagonists of the mGlu receptor and uses thereof
  申请人：Stewart O. Andrew

  公开号：US20060189639A1

  公开（公告）日：2006-08-24

  The present invention discloses compounds of general formula (I) wherein X 1 -X 4 and R 1 -R 3 are as defined in the description. The present invention also discloses methods of treatment for pain, neurodegeneration and convulsive states in a host mammal in need thereof, and pharmaceutical compositions including those compounds.

  本发明揭示了一般式(I)的化合物，其中X1-X4和R1-R3如描述中所定义。本发明还揭示了治疗疼痛、神经退行性和惊厥状态的方法，以及包括这些化合物的制药组合物，适用于需要的哺乳动物宿主。
• Acetals of lactams and amides. 44. Synthesis of derivatives of aminocyanopyridines from enamino amides and enamino nitriles
  作者：L. V. Ershov、V. G. Granik

  DOI：10.1007/bf00506070

  日期：1985.5
• GRANIK, V. G.;GRIZIK, S. I.;SOLOVEVA, N. P.;ANISIMOVA, O. S.;SHEJNKER, YU+, ZH. ORGAN. XIMII, 1984, 20, N 4, 673-678
  作者：GRANIK, V. G.、GRIZIK, S. I.、SOLOVEVA, N. P.、ANISIMOVA, O. S.、SHEJNKER, YU+

  DOI：——

  日期：——
• ERSHOV, L. V.;GRANIK, V. G., XIMIYA GETEROTSIKL. SOEDIN., 1985, N 5, 646-649
  作者：ERSHOV, L. V.、GRANIK, V. G.

  DOI：——

  日期：——
• METHODS OF TREATING MUSCULAR DYSTROPHY
  申请人：BURKIN Dean

  公开号：US20160030390A1

  公开（公告）日：2016-02-04

  Disclosed herein are α7β1 integrin modulatory agents and methods of using such to treat conditions associated with decreased α7β1 integrin expression or activity, including muscular dystrophy. In one example, methods for treating a subject with muscular dystrophy are disclosed. The methods include administering an effective amount of an α7β1 integrin modulatory agent to the subject with muscular dystrophy, wherein the α7β1 integrin modulatory agent increases α7β1 integrin expression or activity as compared to α7β1 integrin expression or activity prior to treatment, thereby treating the subject with muscular dystrophy. Also disclosed are methods of enhancing muscle regeneration, repair, or maintenance in a subject and methods of enhancing α7β1 integrin expression by use of the disclosed α7β1 integrin modulatory agents. Methods of prospectively preventing or reducing muscle injury or damage in a subject are also disclosed.