2-(6-chloro-3-pyridyl)methyl-1-methyl-2-imidazoline

• 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: 2-(6-chloro-3-pyridyl)methyl-1-methyl-2-imidazoline
• 英文别名: 2-Chloro-5-[(1-methyl-4,5-dihydroimidazol-2-yl)methyl]pyridine
• 化学式: C₁₀H₁₂ClN₃
• 分子量: 209.678
• InChiKey: SMCCSNGTFWLKIS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  28.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  N-甲基乙二胺 、 2-(6-氯吡啶-3-基)乙酸甲酯 在 三甲基铝 作用下， 生成 2-(6-chloro-3-pyridyl)methyl-1-methyl-2-imidazoline
  参考文献：
  名称：

  Binding of nicotine and homoazanicotine analogues at neuronal nicotinic acetylcholinergic (nACh) receptors

  摘要：

  A total of 20 substituted analogues of nicotine (1a) and homoazanicotine (3a) were examined in order to determine whether or not they might bind in a similar manner at alpha4beta2 nicotinic acetocholinergic (nACh) receptors. It was found that parallel structural changes in the two series resulted in parallel shifts in affinity. Evidence suggests that the two series are binding in a comparable fashion. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)01031-4

文献信息

• Cyclic amidine compounds
  申请人：——

  公开号：US20030100769A1

  公开（公告）日：2003-05-29

  There is provided cyclic amidine compounds of the following formula (I): 1 wherein: A 1 and A 2 are hydrogen atom, optionally substituted alkyl group; optionally substituted aryl group; or optionally substituted heterocyclic group; and X is —C(R 1 ,R 2 )—C(R 3 ,R 4 )—, —C(R 5 )═C(R 6 )—, —C(R 7 ,R 8 )—C(R 9 ,R 10 )—C(R 11 ,R 12 )—, or —C(R 13 ,R 14 )—C(R 15 ,R 16 )—NH— (wherein, R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , R 8 , R 9 , R 10 , R 11 , R 12 , R 13 , R 14 , R 15 and R 16 are hydrogen atom; halogen atom; optionally substituted alkyl group; optionally substituted aryl group; or optionally substituted heterocyclic group; or pharmaceutically acceptable salts thereof. These compounds have good affinity for &agr;4&bgr;2 nicotinic acetylcholine receptors and activate the same to thereby exert a preventive or therapeutic effect on cerebral dysfunction.

  提供了以下式子（I）的环状腙类化合物：1其中：A1和A2为氢原子，可选取代烷基，可选取代芳基或可选取代杂环基；X为—C（R1，R2）—C（R3，R4）—，—C（R5）═C（R6）—，—C（R7，R8）—C（R9，R10）—C（R11，R12）—或—C（R13，R14）—C（R15，R16）—NH—（其中，R1、R2、R3、R4、R5、R6、R7、R8、R9、R10、R11、R12、R13、R14、R15和R16为氢原子，卤素原子，可选取代烷基，可选取代芳基或可选取代杂环基）或其药学上可接受的盐。这些化合物对α4β2型尼古丁乙酰胆碱受体具有良好的亲和力，并激活该受体，从而对脑功能障碍产生预防或治疗作用。
• CYCLIC AMIDINE COMPOUNDS AND THEIR USE AS ALPHA4BETA2 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS
  申请人：SUNTORY LIMITED

  公开号：EP1280793A2

  公开（公告）日：2003-02-05
• [EN] CYCLIC AMIDINE COMPOUNDS<br/>[FR] COMPOSES AMIDINES CYCLIQUES
  申请人：SUNTORY LTD

  公开号：WO2001081334A2

  公开（公告）日：2001-11-01

  There is provided cyclic amidine compounds of the following formula (I) wherein: A?1 and A2¿ are hydrogen atom, optionally substituted alkyl group; optionally substituted aryl group; or optionally substituted heterocyclic group; and X is -C(R?1,R2)-C(R3,R4¿)-, -C(R5)=C(R6)-, -C(R?7,R8)-C(R9,R10)-C(R11,R12¿)-, or -C(R?13,R14)-C(R15,R16¿)-NH- (wherein, R?1, R2, R3, R4, R5, R6, R7, R8, R9, R10, R11R12, R13, R14, R15 and R16¿ are hydrogen atom; halogen atom; optionally substituted alkyl group; optionally substituted aryl group; or optionally substituted heterocyclic group;or pharmaceutically acceptable salts thereof. These compounds have good affinity for α4β2 nicotinic acetylcholine receptors and activate the same to thereby exert a preventive or therapeutic effect on cerebral dysfunction.
• Binding of nicotine and homoazanicotine analogues at neuronal nicotinic acetylcholinergic (nACh) receptors
  作者：G. Ferretti、M. Dukat、M. Giannella、A. Piergentili、M. Pigini、W. Quaglia、M.I. Damaj、B.R. Martin、R.A. Glennon

  DOI：10.1016/s0960-894x(02)01031-4

  日期：2003.2

  A total of 20 substituted analogues of nicotine (1a) and homoazanicotine (3a) were examined in order to determine whether or not they might bind in a similar manner at alpha4beta2 nicotinic acetocholinergic (nACh) receptors. It was found that parallel structural changes in the two series resulted in parallel shifts in affinity. Evidence suggests that the two series are binding in a comparable fashion. (C) 2003 Elsevier Science Ltd. All rights reserved.