2-(3-Methoxyphenyl)acetimidamide | 208718-83-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 2-(3-Methoxyphenyl)acetimidamide
• 英文别名: 2-(3-methoxyphenyl)ethanimidamide
• CAS: 208718-83-6
• 化学式: C₉H₁₂N₂O
• 分子量: 164.207
• InChiKey: MAJPASBCPDHGFY-UHFFFAOYSA-N

物化性质

• 沸点：
  290.6±42.0 °C(Predicted)
• 密度：
  1.10±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  59.1
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 海关编码：
  2925290090

反应信息

• 作为反应物：
  描述：

  2-(3,5-dimethoxyphenylamino)nicotinic acid hydrazide 、 2-(3-Methoxyphenyl)acetimidamide 在 三乙胺 作用下， 以 吡啶 为溶剂， 生成 N-(3,5-dimethoxyphenyl)-3-[5-[(3-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]pyridin-2-amine
  参考文献：
  名称：

  1,2,4-三唑类化合物作为一类新型有效的微管蛋白聚合抑制剂的合成与构效关系。

  摘要：

  一种新型的含有三唑的化学系列显示抑制微管蛋白聚合并导致细胞周期停滞在EC（50）值在一位数纳摩尔范围内的A431癌细胞。结合实验表明，这类代表性的活性化合物与秋水仙碱竞争其在微管蛋白上的结合位点。本文描述了三唑衍生物的合成和结构-活性关系研究。

  DOI：

  10.1016/j.bmcl.2005.08.056
• 作为产物：
  描述：

  3-甲氧基苯乙腈 在 盐酸 、 氨 作用下， 以 乙醚 、 乙醇 为溶剂， 生成 2-(3-Methoxyphenyl)acetimidamide
  参考文献：
  名称：

  Benzylimidazolines as h5-HT_1B/1D Serotonin Receptor Ligands: A Structure−Affinity Investigation

  摘要：

  Benzylimidazolines may represent a class of 5-HT1D ligands that has yet to be exploited. On the basis of a previous report that the 2-(substituted-benzyl)imidazoline alpha-adrenergic agonist oxymetazoline (8) binds with high affinity at calf brain 5-HT1D receptors, we explored the structure-affinity relationships of a series of related derivatives. Each of the aromatic substituents was removed and then reinstated in a systematic manner to determine the influence of the individual substituents on binding. It was found that all of the aromatic substituents of 8 act in concert to impart high affinity. However, although the 3-hydroxy group could be removed without significantly reducing affinity for h5-HT1D (i.e., human 5-HT1D alpha) receptors, this modification reduced h5-HT1B (i.e., human 5-HT1D beta) receptor affinity by nearly 50-fold. The 2,6-dimethyl groups also contribute to binding but seem to play a greater role for h5-HT1B binding than h5-HT1D binding.With the appropriate structural modifications, several compounds were identified that display 20- to >100-fold selectivity for h5-HT1D versus h5-HT1B receptors. Preliminary functional data suggest that these compounds behave as agonists. Given that 5-HT1D agonists are currently being explored for their antimigraine action and that activation of h5-HT1B receptors might be associated with cardiovascular side effects, h5-HT1D-selective agents may offer a new lead for the development of therapeutically efficacious agents.

  DOI：

  10.1021/jm970513p

文献信息

• CERTAIN HETEROCYCLES, COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE
  申请人：Ashcraft Luke W.

  公开号：US20120289698A1

  公开（公告）日：2012-11-15

  Provided are compounds of Formula I: or a pharmaceutically acceptable salt thereof, wherein R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , X, Z 1 , Z 2 , Z 3 , Z 4 and m are as defined herein. Also provided is a pharmaceutically acceptable composition comprising a compound of Formula I, or a pharmaceutically acceptable salt thereof. Also provided are methods of using a compound of Formula I, or a pharmaceutically acceptable salt thereof.

  提供了Formula I的化合物，或其药用盐，其中R1、R2、R3、R4、R5、R6、R7、X、Z1、Z2、Z3、Z4和m的定义如本文所述。还提供了一种含有Formula I的化合物或其药用盐的药用组合物。还提供了使用Formula I的化合物或其药用盐的方法。
• COMPOSITION CONTAINING ASCORBIC ACID
  申请人：SUMITOMO PHARMACEUTICALS COMPANY, LIMITED

  公开号：EP1004304A1

  公开（公告）日：2000-05-31

  L-Ascorbic acid, its derivatives, or salts thereof can lower the blood lactic acid level and, therefore are useful as a remedy for lactic acidosis, etc., caused by the administration of amoxapine, theophyleine, methoformin, phenformin, buformin, nalidixic acid, hopantenic acid, azidothymidine, dideoxycytidine, high-calorie transfusion, propylene glycol, ethylene glycol, xylitol, fructose, sorbitol, etc.

  L-抗坏血酸、其衍生物或其盐类可降低血液中的乳酸水平，因此可用于治疗因服用阿莫沙平、茶碱、甲氰咪胍、苯福明、布福明、萘啶酸、金刚烷酸、氮杂胞嘧啶、双脱氧胞苷、高热量输血、丙二醇、乙二醇、木糖醇、果糖、山梨糖醇等引起的乳酸中毒等。
• THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO DEGENERATIVE DISEASES
  申请人：NV reMYND

  公开号：EP1981504B1

  公开（公告）日：2010-07-21
• THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES
  申请人：NV Remynd

  公开号：EP2094677B1

  公开（公告）日：2011-01-12
• THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES
  申请人：GRIFFIOEN Gerard

  公开号：US20090054410A1

  公开（公告）日：2009-02-26

  This invention provides specifically substituted 1,2,4-thiadiazole derivatives for use in the treatment of an α-synucleopathy such as Parkinson's disease, diffuse Lewy body disease, traumatic brain injury, amyotrophic lateral sclerosis, Niemann-Pick disease, Hallervorden-Spatz syndrome, Down syndrome, neuroaxonal dystrophy, multiple system atrophy and Alzheimer's disease. This invention also provides various methods for producing such substituted 1,2,4-thiadiazole derivatives.