2-methoxybenzylguanidine sulfate | 224947-75-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 2-methoxybenzylguanidine sulfate
• 英文别名: 1-(2-methoxybenzyl)guanidine hemisulfate；2-[(2-Methoxyphenyl)methyl]guanidine;sulfuric acid
• CAS: 224947-75-5
• 化学式: 2C₉H₁₃N₃O*H₂O₄S
• 分子量: 456.523
• InChiKey: OGZZAGLLKVRGPY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.03
• 重原子数：
  18
• 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：
  157
• 氢给体数：
  4
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  邻甲氧基苯甲醛 、 alkaline earth salt of/the/ methylsulfuric acid 在 镍 氨 作用下， 以 甲醇 、 水 为溶剂， 120.0 ℃ 、11.15 MPa 条件下， 反应 2.0h， 生成 2-methoxybenzylguanidine sulfate
  参考文献：
  名称：

  Ovsepyan, T. R.; Akopyan, P. R.; Safrazbekyan, R. R., Pharmaceutical Chemistry Journal, 1998, vol. 32, # 12, p. 641 - 643

  摘要：

  DOI：

文献信息

• Benzylguanidines and Other Galegine Analogues Inducing Weight Loss in Mice
  作者：Geoffrey D. Coxon、Brian L. Furman、Alan L. Harvey、John McTavish、Mark H. Mooney、Mahmoud Arastoo、Alan R. Kennedy、Justice M. Tettey、Roger D. Waigh

  DOI：10.1021/jm8011933

  日期：2009.6.11

  Dimethylallylguanidine, also known as galegine, isolated from Galega officinalis, has been shown to have weight reducing properties in vivo. Substitution of the guanidine group with an N-cyano group and replacement of guanidine with amidine, pyrimidine, pyridine, or the imidazole moieties removed the weight reducing properties when evaluated in BALB/c mice. However, retention of the guanidine and replacement of the dimethylallyl group by a series of functionalized benzyl substituents was shown to exhibit, and in some cases significantly improve, the weight reducing properties of these molecules in BALB/c, ob/ob, and diet induced obesity (DIO) mice models. The lead compound identified, across all models, was 1-(4-chlorobenzyl)guanidine hemisulfate, which gave an average daily weight difference (% from time-matched controls; +/- SEM) of -19.7 +/- 1.0, -11.0 +/- 0.7, and -7.3 +/- 0.8 in BALB/c, ob/ob, and DIO models, respectively.
• Ovsepyan, T. R.; Akopyan, P. R.; Safrazbekyan, R. R., Pharmaceutical Chemistry Journal, 1998, vol. 32, # 12, p. 641 - 643
  作者：Ovsepyan, T. R.、Akopyan, P. R.、Safrazbekyan, R. R.、Sukasyan, R. S.、Arzanunts, E. M.、Sarkisyan, I. S.、Engoyan, A. P.、Karapetyan, A. A.、Struchkov, Yu. T.

  DOI：——

  日期：——