2-[[4-(Diethoxymethyl)phenyl]methylidene]propanedinitrile | 176049-56-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-[[4-(Diethoxymethyl)phenyl]methylidene]propanedinitrile
• CAS: 176049-56-2
• 化学式: C₁₅H₁₆N₂O₂
• 分子量: 256.304
• InChiKey: HBVBSGPSGOGYSZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  19
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  66
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-[[4-(Diethoxymethyl)phenyl]methylidene]propanedinitrile 在 三氟乙酸 作用下， 以 氯仿 、 水 为溶剂， 以71%的产率得到2-(4-formylbenzylidene)malononitrile
  参考文献：
  名称：

  Charge Resonance and Charge Transfer Interactions of Photogenerated Dicyanovinylstyrylpyridinyl Radicals in Solutions at Room Temperature

  摘要：

  Charge resonance and charge transfer interactions of dicyanovinylstyrylpyridinyl radicals were observed at room temperature in organic solvents by steady photolysis with absorption and ESR spectroscopy, Excitation of dicyanovinylstyrylpyridinium salts with tetraphenylborate in less polar solvents resulted in photoinduced electron transfer reactions to form fairly stable dicyanovinylstyrylpyridinyl radicals. In addition to the remarkable color changes due to the characteristic absorption of dicyanovinylstyrylpyridinyl radicals in the visible region, a charge resonance absorption band (CR band) of dimer radical cations and a charge transfer band of radical dimers were observed in the neat-infrared region with peaks at 1050 and 1120 nm, respectively. The rise of the CR band was observed in the pulse width of a nanosecond laser, which was as fast as that of the formation of radical itself.

  DOI：

  10.1021/jp9536108
• 作为产物：
  描述：

  对苯二甲醛缩二乙醛 、 丙二腈 在 sodium ethanolate 作用下， 以 乙醇 为溶剂， 反应 12.0h， 以88%的产率得到2-[[4-(Diethoxymethyl)phenyl]methylidene]propanedinitrile
  参考文献：
  名称：

  (Hetero)aryl-bicyclic heteroaryl derivatives, their preparation and their use as protease inhibitors

  摘要：

  本发明提供了Formula (I)的新化合物：A-B，其前药形式，或其药学上可接受的盐，其中A代表饱和、不饱和或部分不饱和的双环杂环环结构，B代表芳基或杂芳基团。本发明的首选化合物包括苯并咪唑或吲哚核。本发明的化合物是丝氨酸蛋白酶、尿激酶（uPA）、Xa因子（FXa）和/或VIIa因子（FVIIa）的抑制剂，并具有作为抗癌剂和/或抗凝血剂的用途，用于治疗或预防哺乳动物的血栓栓塞疾病。

  公开号：

  US06867200B1

文献信息

• (Hetero)aryl-bicyclic heteroaryl derivatives, their preparation and their use as protease inhibitors
  申请人：Allen Darin A.

  公开号：US06867200B1

  公开（公告）日：2005-03-15

  The present invention provides novel compounds of the Formula (I): A-B, its prodrug forms, or pharmaceutically acceptable salts thereof, wherein A represents a saturated, unsaturated, or a partially unsaturated bicyclic heterocyclic ring structure, and B represents an aryl or a heteroaryl group. Preferred compounds of the present invention comprise a benzimidazole or indole nucleus. The compounds of this invention are inhibitors of serine proteases, Urokinase (uPA), Factor Xa (FXa), and/or Factor VIIa (FVIIa), and have utility as anti cancer agents and/or as anticoagulants for the treatment or prevention of thromboembolic disorders in mammals.

  本发明提供了Formula (I)的新化合物：A-B，其前药形式，或其药学上可接受的盐，其中A代表饱和、不饱和或部分不饱和的双环杂环环结构，B代表芳基或杂芳基团。本发明的首选化合物包括苯并咪唑或吲哚核。本发明的化合物是丝氨酸蛋白酶、尿激酶（uPA）、Xa因子（FXa）和/或VIIa因子（FVIIa）的抑制剂，并具有作为抗癌剂和/或抗凝血剂的用途，用于治疗或预防哺乳动物的血栓栓塞疾病。
• COMPOSITIONS AND METHODS FOR ENHANCING VIRUS EFFICACY
  申请人：Ottawa Hospital Research Institute

  公开号：EP2451795A1

  公开（公告）日：2012-05-16
• COMPOSITIONS AND USES FOR ENHANCING VIRUS PRODUCTION
  申请人：Ottawa Hospital Research Institute

  公开号：EP2451795B1

  公开（公告）日：2016-07-13
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  申请人：——

  公开号：US8940291B2

  公开（公告）日：2015-01-27
• US9283254B2
  申请人：——

  公开号：US9283254B2

  公开（公告）日：2016-03-15