3-(6-methylpyridin-2-yl)prop-2-yn-1-yl methanesulfonate | 329204-78-6

• 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: 3-(6-methylpyridin-2-yl)prop-2-yn-1-yl methanesulfonate
• 英文别名: 3-(6-Methylpyridin-2-yl)prop-2-ynyl methanesulfonate
• CAS: 329204-78-6
• 化学式: C₁₀H₁₁NO₃S
• 分子量: 225.268
• InChiKey: UWDDIKHVBKITQQ-UHFFFAOYSA-N

物化性质

• 沸点：
  413.7±40.0 °C(Predicted)
• 密度：
  1.29±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：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  64.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-(6-methylpyridin-2-yl)prop-2-yn-1-yl methanesulfonate 在 ammonium hydroxide 作用下， 反应 0.08h， 以99%的产率得到3-(6-Methyl-pyridin-2-yl)-prop-2-ynylamine
  参考文献：
  名称：

  Structure–activity relationships for the linker in a series of pyridinyl-alkynes that are antagonists of the metabotropic glutamate receptor 5 (mGluR5)

  摘要：

  Studies of structure-activity relationships for the linker in a new series of metabotropic glutamate receptor 5 antagonists are presented together with in vitro and in vivo pharmacokinetic data. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.06.078
• 作为产物：
  描述：

  2-溴-6-甲基吡啶 在 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 生成 3-(6-methylpyridin-2-yl)prop-2-yn-1-yl methanesulfonate
  参考文献：
  名称：

  A new series of pyridinyl-alkynes as antagonists of the metabotropic glutamate receptor 5 (mGluR5)

  摘要：

  Synthesis and some structure-activity relationships for a new series of propargyl ethers as mGluR5 antagonists are reported. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.06.079

文献信息

• [EN] ALKYNES III<br/>[FR] ALCYNES III
  申请人：ASTRAZENECA AB

  公开号：WO2005044265A1

  公开（公告）日：2005-05-19

  The present invention is directed to novel compounds of formula 1, to a process, for their preparation, their use in therapy and pharmaceutical compositions comprising the novel compounds. The novel compounds are useful in therapy, and in particular for the treatment 5 of gastroesophageal reflux disease (GERD).

  本发明涉及一种新型化合物的公式1，以及用于它们的制备的方法，它们在治疗中的应用以及包含这些新型化合物的药物组合物。这些新型化合物在治疗中很有用，特别是用于治疗胃食管反流病（GERD）。
• [EN] ALKYNES II<br/>[FR] ALKYNES II
  申请人：ASTRAZENECA AB

  公开号：WO2005044267A1

  公开（公告）日：2005-05-19

  The present invention is directed to novel compounds of formula (I), to a process for their preparation, their use and pharmaceutical compositions comprising the novel compounds. The novel compounds are useful in therapy, and in particular for the treatment of gastroesophageal reflux disease (GERD).

  本发明涉及化合物的新颖结构（I），以及它们的制备方法、用途和包含这些新化合物的药物组合物。这些新化合物在治疗中具有用途，特别是用于治疗胃食管反流病（GERD）。
• [EN] HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF<br/>[FR] COMPOSES HETEROCYCLIQUES ET PROCEDES D'UTILISATION DE CEUX-CI
  申请人：MERCK & CO INC

  公开号：WO2001016121A1

  公开（公告）日：2001-03-08

  In accordance with the present invention, there are provided novel class of heterocyclic compounds and methods of use thereof. Compounds of the invention contain a substituted, unsaturated five, six or seven membered heterocyclic ring that includes at least one nitrogen atom and at least one carbon atom. At a ring position adjacent to a ring nitrogen atom, the heterocyclic ring has at least one substituent which includes a moiety, linked to the heterocyclic ring via an alkylene moiety, an alkynylene moiety or an azo group. Invention compounds are capable of a wide variety of uses including modulating physiological processes by functioning as agonists and antagonists of receptors in the nervous system, as insecticides, and as fungicides. The invention further provides methods of modulating the activity of excitatory amino acid receptors using a specifically defined class of heterocyclic compounds including the novel compounds referred to above. In one embodiment, there are provided methods of modulating metabotropic glutamate receptors. The present invention also discloses methods of treating disease using heterocyclic compounds. The invention further discloses methods of preventing disease conditions related to diseases of the pulmonary system, diseases of the nervous system, diseases of the cardiovascular system, diseases of the gastrointestinal system, diseases of the endocrine system, diseases of the exocrine system, diseases of the skin, cancer and diseases of the ophthalmic system. The invention also discloses pharmaceutically acceptable salt forms of the above-described heterocyclic compounds.

  根据本发明，提供了一类新型的杂环化合物及其使用方法。该发明的化合物包含一个取代的、不饱和的五、六或七元杂环环，其中至少包含一个氮原子和至少一个碳原子。在靠近环氮原子的环位置上，杂环环有至少一个取代基，包括一个官能团，通过烷基官能团、炔基官能团或偶氮基团连接到杂环环上。发明的化合物能够广泛应用，包括通过作为神经系统受体的激动剂和拮抗剂来调节生理过程，作为杀虫剂和杀菌剂。本发明还提供了使用特定定义的杂环化合物类来调节兴奋性氨基酸受体活性的方法，包括上述新型化合物。在一种实施例中，提供了调节代谢性谷氨酸受体的方法。本发明还揭示了使用杂环化合物治疗疾病的方法。本发明还揭示了预防与肺系统疾病、神经系统疾病、心血管系统疾病、胃肠系统疾病、内分泌系统疾病、外分泌系统疾病、皮肤疾病、癌症和眼科系统疾病相关的疾病状态的方法。本发明还揭示了上述杂环化合物的药物可接受的盐形式。
• HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF
  申请人：Merck & Co., Inc.

  公开号：EP1214303A1

  公开（公告）日：2002-06-19
• ALKYNES II
  申请人：AstraZeneca AB

  公开号：EP1677790A1

  公开（公告）日：2006-07-12