乙基5-甲氧基烟酸酯 | 20826-01-1

• 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
• 中文名称: 乙基5-甲氧基烟酸酯
• 英文名称: Ethyl 5-methoxynicotinate
• 英文别名: 5-Methoxy-nicotinsaeure-ethylester；5-methoxy-nicotinic acid ethyl ester；ethyl 5-methoxypyridine-3-carboxylate
• CAS: 20826-01-1
• 化学式: C₉H₁₁NO₃
• 分子量: 181.191
• InChiKey: AHFHVMVXWINXKJ-UHFFFAOYSA-N

物化性质

• 沸点：
  267.5±20.0 °C(Predicted)
• 密度：
  1.124±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  48.4
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 海关编码：
  2933399090

上下游信息

• 下游产品

  中文名称	英文名称	CAS号	化学式	分子量
  5-甲氧基-吡啶-3-甲醛	5-methoxypyridine-3-carboxaldehyde	113118-83-5	C7H7NO2	137.138
  (5-甲氧基吡啶-3-基)甲醇	(5-methoxypyridin-3-yl)methanol	937202-11-4	C7H9NO2	139.154

反应信息

• 作为反应物：
  描述：

  乙基5-甲氧基烟酸酯 在 lithium aluminium tetrahydride 作用下， 以 乙醚 为溶剂， 生成 (5-甲氧基吡啶-3-基)甲醇
  参考文献：
  名称：

  Acrylamide derivatives as antiallergic agents. 2. Synthesis and structure activity relationships of N-[4-[4-(diphenylmethyl)-1-piperazinyl]butyl]-3-(3-pyridyl)acrylamides

  摘要：

  A new series of 3-(3-pyridyl)acrylamides 16, 17, 19, and 26, and 5-(3-pyridyl)-2,4-pentadienamides 20-25 were prepared and evaluated for their antiallergic activity. Several of these compounds exhibited more potent inhibitory activities than the parent compound 1a [(E)-N-[4-[4-(diphenylmethyl)-1-piperazinyl]butyl]-3- (3-pyridyl)acrylamide] against the rat passive cutaneous anaphylaxis (PCA) reaction and the enzyme 5-lipoxygenase. Particularly, (E)-N-[4-[4-(diphenylmethyl)-1-piperazinyl]butyl]-3- (6-methyl-3-pyridyl)acrylamide (17p) showed an ED50 value of 3.3 mg/kg po in the rat PCA test, which was one-fifth of ketotifen and oxatomide. As compared with ketotifen and oxatomide, compound 17p (AL-3264) possessed a better balance of antiallergic properties due to inhibition of chemical mediator release, inhibition of 5-lipoxygenase, and antagonism of histamine.

  DOI：

  10.1021/jm00123a012

文献信息

• HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS, IN PARTICULAR AS ANTI-ALZHEIMER AGENTS
  申请人：Marsais Francis

  公开号：US20090062279A1

  公开（公告）日：2009-03-05

  The invention is related to compound which comprises at least one radical C═Y, Y being O or S, and an oxidable and non protonable nitrogen atom N wherein the distance (d) between the at least one carbon atom of the radical group C═Y and the nitrogen atom, when oxidized, is comprised between 0.3 and 0.8 nanometers. The invention is related to new heterocyclic compounds defined by formula G, their preparation, to pharmaceutical compositions comprising them and to their use as therapeutic agents, particularly in the treatment of neurodegenerative or Alzheimer disease.

  本发明涉及一种化合物，其包含至少一个基团C═Y，其中Y为O或S，以及一个可氧化且不可质子化的氮原子N，其中在氧化时，基团C═Y的至少一个碳原子与氮原子之间的距离(d)在0.3至0.8纳米之间。本发明涉及由公式G定义的新杂环化合物及其制备方法，涉及包含它们的制药组合物以及它们在治疗神经退行性或阿尔茨海默病方面的用途。
• New heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-alzheimer agents
  申请人：Institut National des Sciences Appliquees de Rouen (INSA)

  公开号：EP1731507A1

  公开（公告）日：2006-12-13

  The invention is related to compound which comprises at least one radical C=Y, Y being O or S, and an oxidable and non protonable nitrogen atom N wherein the distance (d) between the at least one carbon atom of the radical group C=Y and the nitrogen atom, when oxidized, is comprised between 0.3 and 0.8 nanometers. The invention is related to new heterocyclic compounds defined by formula G, their preparation, to pharmaceutical compositions comprising them and to their use as therapeutic agents, particularly in the treatment of neurodegenerative or Alzheimer disease.

  本发明涉及由至少一个基团C=Y（Y为O或S）和一个可氧化且不可质子化的氮原子N组成的化合物，其中基团C=Y的至少一个碳原子与氮原子之间的距离（d）在氧化时介于0.3至0.8纳米之间。 本发明涉及由式 G 定义的新杂环化合物、 它们的制备、包含它们的药物组合物以及它们作为治疗剂的用途，特别是在治疗神经退行性疾病或阿尔茨海默病中的用途。
• NEW HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS, IN PARTICULAR AS ANTI-ALZHEIMER AGENTS
  申请人：Insa Rouen

  公开号：EP1868998A2

  公开（公告）日：2007-12-26
• US7977354B2
  申请人：——

  公开号：US7977354B2

  公开（公告）日：2011-07-12
• [EN] NEW HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS, IN PARTICULAR AS ANTI-ALZHEIMER AGENTS<br/>[FR] NOUVEAUX COMPOSES HETEROCYCLIQUES, PREPARATION ET UTILISATION EN TANT QUE MEDICAMENTS, NOTAMMENT EN TANT QU'AGENTS ANTI-ALZHEIMER
  申请人：INSA ROUEN

  公开号：WO2006103120A2

  公开（公告）日：2006-10-05

  [EN] The invention is related to compound which comprises at least one radical C=Y, Y being O or S, and an oxidable and non protonable nitrogen atom N wherein the distance (d) between the at least one carbon atom of the radical group C=Y and the nitrogen atom, when oxidized, is comprised between 0.3 and 0.8 nanometers. The invention is related to new heterocyclic compounds defined by formula G, their preparation, to pharmaceutical compositions comprising them and to their use as therapeutic agents, particularly in the treatment of neurodegenerative or Alzheimer disease.
  [FR] L'invention concerne des composés contenant au moins un radical C=Y, Y étant O ou S, et un atome d'azote N oxydable ou non protonable, la distance (d) entre le ou les atomes de carbone du groupe radical C=Y et l'atome d'azote, si oxydé, étant comprise entre 0,3 et 0,8 nm. L'invention concerne également de nouveaux composés hétérocycliques représentés par la formule G, leur préparation, des compositions pharmaceutiques les contenant et leur utilisation en tant qu'agents thérapeutiques, notamment dans le traitement de maladies neurodégénératives ou de la maladie d'Alzheimer.