1-(2-chlorobenzyl)guanidine hemisulfate | 3458-33-1

• 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: 1-(2-chlorobenzyl)guanidine hemisulfate
• 英文别名: 1-(2-chlorobenzyl)guanidine hemisulphate；N-(2-Chlorobenzyl)guanidine sulfate, AldrichCPR；2-[(2-chlorophenyl)methyl]guanidine;sulfuric acid
• CAS: 3458-33-1
• 化学式: 2C₈H₁₀ClN₃*H₂O₄S
• 分子量: 465.36
• InChiKey: KOJNKBBEDSYDTN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.46
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  147
• 氢给体数：
  4
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  1-(2-chlorobenzyl)guanidine hemisulfate 、 丙二酸二乙酯 以43%的产率得到
  参考文献：
  名称：

  ZIMON R.; ZEJC A., ACTA POL. PHARM., 1980, 37, NO 4, 415-418

  摘要：

  DOI：
• 作为产物：
  描述：

  2-甲基-2-疏基硫酸脲 、 邻氯苯甲胺 以70%的产率得到
  参考文献：
  名称：

  ZIMON R.; ZEJC A., ACTA POL. PHARM., 1980, 37, NO 4, 415-418

  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.
• ZIMON R.; ZEJC A., ACTA POL. PHARM., 1980, 37, NO 4, 415-418
  作者：ZIMON R.、 ZEJC A.

  DOI：——

  日期：——