N-methyl-N-(5,6,7,8-tetrahydroisoquinolin-8-yl)acetamide | 497251-77-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: N-methyl-N-(5,6,7,8-tetrahydroisoquinolin-8-yl)acetamide
• CAS: 497251-77-1
• 化学式: C₁₂H₁₆N₂O
• 分子量: 204.272
• InChiKey: OXWJHKPYUIFMKK-UHFFFAOYSA-N

物化性质

• 沸点：
  351.6±21.0 °C(Predicted)
• 密度：
  1.11±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  33.2
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  N-methyl-N-(5,6,7,8-tetrahydroisoquinolin-8-yl)acetamide 在 lithium aluminium tetrahydride 作用下， 生成 N-ethyl-N-methyl-5,6,7,8-tetrahydroisoquinolin-8-amine
  参考文献：
  名称：

  (±)8-Amino-5,6,7,8-tetrahydroisoquinolines as novel antinociceptive agents

  摘要：

  Several amine-substituted 8-amino-5,6,7,8-tetrahydroisoquinolines were examined as conformationally-constrained analogs of the nicotinic cholinergic (nACh) 3-(aminomethyl)pyridines. Although these ligands failed to bind at nACh receptors, the N-ethyl-N-methyl analog 3d was found to be at least equipotent with nicotine in rodent tests of antinociception. The mechanism of action of 3d is currently unknown. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.05.020
• 作为产物：
  描述：

  5,6,7,8-四氢-8-异喹啉醇 在 氯化亚砜 作用下， 生成 N-methyl-N-(5,6,7,8-tetrahydroisoquinolin-8-yl)acetamide
  参考文献：
  名称：

  (±)8-Amino-5,6,7,8-tetrahydroisoquinolines as novel antinociceptive agents

  摘要：

  Several amine-substituted 8-amino-5,6,7,8-tetrahydroisoquinolines were examined as conformationally-constrained analogs of the nicotinic cholinergic (nACh) 3-(aminomethyl)pyridines. Although these ligands failed to bind at nACh receptors, the N-ethyl-N-methyl analog 3d was found to be at least equipotent with nicotine in rodent tests of antinociception. The mechanism of action of 3d is currently unknown. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.05.020

文献信息

• THERAPEUTIC COMPOUNDS AND USES THEREOF
  申请人：GENENTECH, INC.

  公开号：US20170340604A1

  公开（公告）日：2017-11-30

  The present invention relates to compounds of formula (I): and to salts thereof, wherein R 1 , R 2 , R c , and R d have any of the values defined in the specification, and compositions and uses thereof. The compounds are useful as inhibitors of bromodomains. Also included are pharmaceutical compositions comprising a compound of formula (I) or a pharmaceutically acceptable salt thereof, and methods of using such compounds and salts in the treatment of various bromodomain-mediated disorders.
• [EN] AMINOTETRAHYDROISOQUINOLINE DERIVATIVES AS ANALGESICS<br/>[FR] DERIVES D'AMINOTETRAHYDROISOQUINOLEINES EN TANT QU'ANALGESIQUES
  申请人：UNIV VIRGINIA COMMONWEALTH

  公开号：WO2003014089A1

  公开（公告）日：2003-02-20

  Tetrahydroisoquinolines are provided having a secondary, tertiary or quaternary amino group spaced by three carbon atoms from the ring nitrogen, and pharmaceutically acceptable salts and prodrugs thereof. Preferred compounds are of Formula (I), wherein R?1, R2 and R5¿ are independently selected from the group consisting of hydrogen, C¿1-6? alkyl and a moiety wherein any two of R?1, R2 and R5¿, together with the nitrogen to which they are attached, form a heterocyclic ring of 2 to 5 carbons, provided that R?1 and R2, and R5¿ when present, are not each hydrogen, R?3 and R4¿ are independently selected from the group of moieties which are effective to alter the solubility of the compound in physiological fluids or pharmaceutical carriers n and m are independently selected from integers of 0 to 3 and 0 to 4 respectively, p is an integer 0 or 1 and pharmaceutically acceptable salts and prodrugs thereof.
• (±)8-Amino-5,6,7,8-tetrahydroisoquinolines as novel antinociceptive agents
  作者：Małgorzata Dukat、Mohamed Taroua、Abdelaziz Dahdouh、Umamaheswar Siripurapu、M Imad Damaj、Billy R Martin、Richard A Glennon

  DOI：10.1016/j.bmcl.2004.05.020

  日期：2004.7

  Several amine-substituted 8-amino-5,6,7,8-tetrahydroisoquinolines were examined as conformationally-constrained analogs of the nicotinic cholinergic (nACh) 3-(aminomethyl)pyridines. Although these ligands failed to bind at nACh receptors, the N-ethyl-N-methyl analog 3d was found to be at least equipotent with nicotine in rodent tests of antinociception. The mechanism of action of 3d is currently unknown. (C) 2004 Elsevier Ltd. All rights reserved.