(3,4-dihydro-1H-isoquinolin-2-yl)-methylamine hydrochloride | 94314-66-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: (3,4-dihydro-1H-isoquinolin-2-yl)-methylamine hydrochloride
• 英文别名: N-methyl-3,4-dihydro-1H-isoquinolin-2-amine;hydrochloride
• CAS: 94314-66-6
• 化学式: C₁₀H₁₄N₂*ClH
• 分子量: 198.695
• InChiKey: JLHZIWHJFORJJV-UHFFFAOYSA-N

物化性质

• 熔点：
  186-187 °C

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  15.3
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-[5-Chloro-2-(4-chlorophenoxy)phenyl]-2,6-morpholinedione 、 (3,4-dihydro-1H-isoquinolin-2-yl)-methylamine hydrochloride 在 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 1.0h， 以1.2 g的产率得到
  参考文献：
  名称：

  Discovery and structural analyses of S-adenosyl-l-homocysteine hydrolase inhibitors based on non-adenosine analogs

  摘要：

  Optimization of a new series of S-adenosyl-L-homocysteine hydrolase (AdoHcyase) inhibitors based on non-adenosine analogs led to very potent compounds 14n, 18a, and 18b with IC50 values of 13 +/- 3, 5.0 +/- 2.0, and 8.5 +/- 3.1 nM, respectively. An X-ray crystal structure of AdoHcyase with NAD(+) and 18a showed a novel open form co-crystal structure. 18a in the co-crystals formed intramolecular eight membered ring hydrogen bond formations. A single crystal X-ray structure of 14n also showed an intramolecular eight-membered ring hydrogen bond interaction. (C) 2015 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2015.05.018

文献信息

• Compounds for treating disorders where a decreased level of plasma FFA is desired
  申请人：——

  公开号：US20020082254A1

  公开（公告）日：2002-06-27

  The present invention relates to novel compounds, compositions containing them, and their use for treating medical disorders where a decreased level of plasma free fatty acids (FFA) is desired.

  这项发明涉及新化合物、含有这些化合物的组合物，以及它们用于治疗需要降低血浆游离脂肪酸（FFA）水平的医学疾病的用途。
• [EN] COMPOUNDS FOR TREATING DISORDERS WHERE A DECREASED LEVEL OF PLASMA FFA IS DESIRED<br/>[FR] COMPOSES DESTINES AU TRAITEMENT DE TROUBLES DANS LESQUELS UNE DIMINUTION DU NIVEAU D'AGL DU PLASMA EST VOULUE
  申请人：NOVO NORDISK AS

  公开号：WO2001087843A1

  公开（公告）日：2001-11-22

  The present invention relates to novel compounds of general formula (I), wherein A is a nitrogen containing ring systen attached through the nitrogen atom, compositions containing them, and their use for treating medical disorders where a decreased level of plasma free fatty acids (FFA) is desired.