4,4,6,6-tetramethyl-5-oxo-nonanedinitrile | 100800-11-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4,4,6,6-tetramethyl-5-oxo-nonanedinitrile
• 英文别名: 4,4,6,6-Tetramethyl-5-oxo-nonandinitril；4,4,6,6-Tetramethyl-5-oxononanedinitrile；4,4,6,6-tetramethyl-5-oxononanedinitrile
• CAS: 100800-11-1
• 化学式: C₁₃H₂₀N₂O
• 分子量: 220.315
• InChiKey: HZAQVTANXZEAKF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  16
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.77
• 拓扑面积：
  64.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4,4,6,6-tetramethyl-5-oxo-nonanedinitrile 在 sodium hydroxide 、 双氧水 作用下， 生成 4,4,6,6-tetramethyl-5-oxo-nonanedioic acid diamide
  参考文献：
  名称：

  Terent'ew et al., Zhurnal Obshchei Khimii, 1956, vol. 26, p. 2925,2927; engl. Ausg. S. 3251, 3253

  摘要：

  DOI：
• 作为产物：
  描述：

  β-氯丙腈 、 alkaline earth salt of/the/ methylsulfuric acid 在 乙醚 作用下， 生成 4,4,6-trimethyl-5-oxo-heptanenitrile 、 4,4,6,6-tetramethyl-5-oxo-nonanedinitrile
  参考文献：
  名称：

  Reactions of Certain Ketone Anions with β-Chloropropionitrile¹

  摘要：

  DOI：

  10.1021/ja01164a104

文献信息

• Aryl substituted pyrimidines and the use thereof
  申请人：Euro-Celtique S.A.

  公开号：US20030236273A1

  公开（公告）日：2003-12-25

  This invention relates to a method of treating disorders responsive to the blockade of sodium ion channels using novel aryl-substituted pyrimidine compounds of Formula I: 1 or a pharmaceutically acceptable salt, or solvate thereof, wherein A, R 1 , R 2 , R 3 and R 4 are defined in the specification. The invention is also directed to the use of compounds of Formula I for the treatment of neuronal damage following global and focal ischemia, for the treatment or prevention of neurodegenerative conditions such as amyotrophic lateral sclerosis (ALS), and for the treatment, prevention or amelioration of both acute or chronic pain, as antitinnitus agents, as anticonvulsants, and as antimanic depressants, as local anesthetics, as antiarrhythmics and for the treatment or prevention of diabetic neuropathy.

  该发明涉及一种治疗对钠离子通道阻滞具有响应的疾病的方法，使用具有化学式I:1的新型芳基取代嘧啶化合物或其药学上可接受的盐或溶剂，其中A、R1、R2、R3和R4在说明书中有定义。该发明还涉及使用化合物I的治疗神经元在全局性和局部性缺血后的损伤，用于治疗或预防神经退行性疾病，如肌萎缩性侧索硬化（ALS），以及用于治疗、预防或改善急性或慢性疼痛，作为抗耳鸣剂，抗癫痫药物，抗躁郁药物，局部麻醉剂，抗心律失常药物，以及用于治疗或预防糖尿病性神经病变。
• Cyanoethylation of ketones
  申请人：RESINOUS PROD &

  公开号：US02386736A1

  公开（公告）日：1945-10-09
• ARYL SUBSTITUTED PYRIMIDINES AND THE USE THEREOF
  申请人：EURO-CELTIQUE S.A.

  公开号：EP1483247B1

  公开（公告）日：2009-06-24
• US7229993B2
  申请人：——

  公开号：US7229993B2

  公开（公告）日：2007-06-12
• [EN] ARYL SUBSTITUTED PYRIMIDINES AND THE USE THEREOF<br/>[FR] PYRIMIDINES SUBSTITUEES PAR ARYLE ET UTILISATION ASSOCIEE
  申请人：EURO CELTIQUE SA

  公开号：WO2003076414A2

  公开（公告）日：2003-09-18

  This invention relates to a method of treating disorders responsive to the blockade of sodium ion channels using novel aryl-substituted pyrimidine compounds of Formula (I): or a pharmaceutically acceptable salt, or solvate thereof, wherein A, R1, R2, R3 and R4 are defined in the specification. The invention is also directed to the use of compounds of Formula I for the treatment of neuronal damage following global and focal ischemia, for the treatment or prevention of neurodegenerative conditions such as amyotrophic lateral sclerosis (ALS), and for the treatment, prevention or amelioration of both acute or chronic pain, as antitinnitus agents, as anticonvulsants, and as antimanic depressants, as local anesthetics, as antiarrhythmics and for the treatment or prevention of diabetic neuropathy.