(4E)-N-methyl-5-(1-oxo-pyridin-3-yl)-4-penten-2-amine | 312728-44-2

• 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: (4E)-N-methyl-5-(1-oxo-pyridin-3-yl)-4-penten-2-amine
• 英文别名: (4E)-N-methyl-5-(3-(1-oxopyridin)yl)-4-penten-2-amine；(4E)-N-methyl-5-(1-oxo-3-pyridyl)-4-penten-2-amine；(E)-N-methyl-5-(1-oxidopyridin-1-ium-3-yl)pent-4-en-2-amine
• CAS: 312728-44-2
• 化学式: C₁₁H₁₆N₂O
• 分子量: 192.261
• InChiKey: JXIQGUGJVIYJJQ-ZZXKWVIFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  37.5
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  (4E)-N-methyl-N-(tert-butoxycarbonyl)-5-(1-oxo-3-pyridyl)-4-penten-2-amine 在 三氟乙酸 作用下， 以 苯甲醚 为溶剂， 生成 (4E)-N-methyl-5-(1-oxo-pyridin-3-yl)-4-penten-2-amine
  参考文献：
  名称：

  Pharmaceutical compositions and methods for use

  摘要：

  药物组合物包含芳基取代的烯丙胺化合物。代表性化合物包括(3E)-N-甲基-4-[3-(5-硝基-6-氨基吡啶)基]-3-丁烯-1-胺，(3E)-N-甲基-4-[3-(5-(N-苄基羧酰胺)吡啶)基]-3-丁烯-1-胺，(4E)-N-甲基-5-[5-(2-氨基嘧啶)基]-4-戊烯-2-胺，(4E)-N-甲基-5-(3-(5-氨基吡啶)基)-4-戊烯-2-胺，(3E)-N-甲基-4-(3-(5-异丁氧基吡啶)基)-3-丁烯-1-胺，(3E)-N-甲基-4-(3-(1-氧代吡啶)基)-3-丁烯-1-胺，(3E)-N-甲基-4-(3-(5-乙硫代吡啶)基)-3-丁烯-1-胺，(4E)-N-甲基-5-(3-(5-三氟甲基吡啶)基)-4-戊烯-2-胺和(4E)-N-甲基-5-(3-(5-羟基吡啶)基)-4-戊烯-2-胺。

  公开号：

  US06492399B1

文献信息

• Compounds capable of activating cholinergic receptors
  申请人：——

  公开号：US20030125345A1

  公开（公告）日：2003-07-03

  The present invention generally relates to nicotinic compounds, in the form of aryl substituted olefinic compounds, as well as pro-drug, N-oxide, metabolite and pharmaceutically acceptable salt forms thereof. Methods of modulating neurotransmitter release via administration of the compounds, pro-drugs, N-oxides and/or pharmaceutically acceptable salts are also disclosed.

  本发明通常涉及烟碱化合物，以芳基取代的烯烃化合物形式存在，以及它们的前药、N-氧化物、代谢物和药用可接受盐形式。还公开了通过给予这些化合物、前药、N-氧化物和/或药用可接受盐来调节神经递质释放的方法。
• [EN] PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE<br/>[FR] COMPOSITIONS PHARMACEUTIQUES ET METHODES D'UTILISATION
  申请人：TARGACEPT INC

  公开号：WO2000075110A1

  公开（公告）日：2000-12-14

  Pharmaceutical compositions incorporate aryl substituted olefinic amine compounds. Representative compounds are (2S)-(4E)-N-methyl-5-[3-(5-isopropoxy-1-oxopyridin)yl)]-4-penten-2-amine, (3E)-N-methyl-4-(3-(1-oxopyridin)yl)-3-buten-1-amine, (4E)-N-methyl-5-(3-(1-oxopyridin)yl)-4-penten-2-amine, (4E)-N-methyl-5-(3-(5-((carboxymethyl)oxy)pyridin)yl)-4-penten-2-amine, (3E)-N-methyl-4-[3-(5-nitro-6-aminopyridin)yl]-3-buten-1-amine, (3E)-N-methyl-4-[3-(5-(N-benzylcarboxamido)pyridin)yl]-3-buten-1-amine(4E)-N-methyl-5-[5-(2-aminopyrimidin)yl]-4-penten-2-amine, (4E)-N-methyl-5-(3-(5-aminopyridin)yl)-4-penten-2-amine (3E)-N-methyl-4-(3-(5-isobutoxypyridin)yl)-3-buten-1-amine, (3E)-N-methyl-4-(3-(5-ethylthiopyridin)yl)-3-buten-1-amine, (4E)-N-methyl-5-(3-(5-trifluoromethylpyridin)yl)-4-penten-2-amine, (4E)-5-(3-(5-isopropoxypyridin)yl)-4-penten-2-amine, and (4E)-5-(3-(5-isopropoxypyridin)yl)-4-penten-2-amine.

  制药组合物包括芳基取代烯丙胺化合物。代表性化合物有(2S)-(4E)-N-甲基-5-[3-(5-异丙氧基-1-氧代吡啶)基)]-4-戊烯-2-胺，(3E)-N-甲基-4-(3-(1-氧代吡啶)基)-3-丁烯-1-胺，(4E)-N-甲基-5-(3-(1-氧代吡啶)基)-4-戊烯-2-胺，(4E)-N-甲基-5-(3-(5-((羧甲基)氧基)吡啶)基)-4-戊烯-2-胺，(3E)-N-甲基-4-[3-(5-硝基-6-氨基吡啶)基]-3-丁烯-1-胺，(3E)-N-甲基-4-[3-(5-(N-苯甲酰基)吡啶)基]-3-丁烯-1-胺，(4E)-N-甲基-5-[5-(2-氨基嘧啶)基]-4-戊烯-2-胺，(4E)-N-甲基-5-(3-(5-氨基吡啶)基)-4-戊烯-2-胺，(3E)-N-甲基-4-(3-(5-异丁氧基吡啶)基)-3-丁烯-1-胺，(3E)-N-甲基-4-(3-(5-乙硫基吡啶)基)-3-丁烯-1-胺，(4E)-N-甲基-5-(3-(5-三氟甲基吡啶)基)-4-戊烯-2-胺，(4E)-5-(3-(5-异丙氧基吡啶)基)-4-戊烯-2-胺，以及(4E)-5-(3-(5-异丙氧基吡啶)基)-4-戊烯-2-胺。
• [EN] COMPOUNDS CAPABLE OF ACTIVATING CHOLINERGIC RECEPTORS<br/>[FR] COMPOSES POUVANT ACTIVER DES RECEPTEURS CHOLINERGIQUES
  申请人：TARGACEPT INC

  公开号：WO2004031151A1

  公开（公告）日：2004-04-15

  The present invention generally relates to nicotinic compounds, in the form of aryl substituted olefinic compounds, as well as pro-drug, N-oxide, metabolite and pharmaceutically acceptable salt forms thereof. Methods of modulating neurotransmitter release via administration of the compounds, pro-drugs, N-oxides and/or pharmaceutically acceptable salts are also disclosed.

  本发明一般涉及尼古丁化合物，以芳基取代的烯烃化合物的形式存在，以及它们的前药、N-氧化物、代谢物和药学上可接受的盐形式。本发明还揭示了通过给予化合物、前药、N-氧化物和/或药学上可接受的盐来调节神经递质释放的方法。
• Hydroxybenzoate salts of metanicotine compounds
  申请人：Munoz A. Julio

  公开号：US20060122237A1

  公开（公告）日：2006-06-08

  Patients susceptible to or suffering from conditions and disorders, such as central nervous system disorders, are treated by administering to a patient in need thereof compositions that are hydroxybenzoate salts of E-metanicotine-type compounds. The formation of hydroxybenzoate salts of the E-metanicotine compounds is also useful in purifying the E-metanicotine compounds, as the hydroxybenzoate salts tend to crystallize out, leaving impurities such as Z-metanicotine compounds, and compounds where the double bond has migrated, in solution. If desired, the hydroxybenzoate salts can be converted to either the free base (the E-metanicotine) or to another pharmaceutically acceptable salt form.

  易感或患有中枢神经系统疾病等状况的患者，通过向需要治疗的患者施用氢氧基苯酸盐型的E-甲基烟碱类化合物来进行治疗。形成E-甲基烟碱化合物的氢氧基苯酸盐也可用于纯化E-甲基烟碱化合物，因为氢氧基苯酸盐倾向于结晶出来，留下杂质，如Z-甲基烟碱化合物和双键迁移的化合物在溶液中。如果需要，氢氧基苯酸盐可以转化为自由基（E-甲基烟碱）或其他药学上可接受的盐形式。
• Compounds Capable of Activating Cholinergic Receptors
  申请人：Caldwell S. William

  公开号：US20060293289A1

  公开（公告）日：2006-12-28

  The present invention generally relates to nicotinic compounds, in the form of aryl substituted olefinic compounds, as well as pro-drug, N-oxide, metabolite and pharmaceutically acceptable salt forms thereof. Methods of modulating neurotransmitter release via administration of the compounds, pro-drugs, N-oxides and/or pharmaceutically acceptable salts are also disclosed.

  本发明一般涉及尼古丁化合物，以芳基取代烯烃化合物的形式出现，以及其前药、N-氧化物、代谢物和药学上可接受的盐形式。本发明还公开了通过给予这些化合物、前药、N-氧化物和/或药学上可接受的盐来调节神经递质释放的方法。