4,6-二甲氧基-2-哌啶基-4-基嘧啶 | 849924-99-8

• 物质功能分类: 医药中间体 - 嘧啶类化合物
• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 4,6-二甲氧基-2-哌啶基-4-基嘧啶
• 英文名称: 4,6-dimethoxy-2-(piperidin-4-yl)pyrimidine
• 英文别名: 4,6-Dimethoxy-2-piperidin-4-ylpyrimidine
• CAS: 849924-99-8
• 化学式: C₁₁H₁₇N₃O₂
• mdl: MFCD03406618
• 分子量: 223.275
• InChiKey: KLBDSBXBSWXRQE-UHFFFAOYSA-N

物化性质

• 熔点：
  48～51℃

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.636
• 拓扑面积：
  56.3
• 氢给体数：
  1
• 氢受体数：
  5

安全信息

• 危险等级：
  IRRITANT
• 海关编码：
  2933990090

反应信息

• 作为反应物：
  描述：

  4,6-二甲氧基-2-哌啶基-4-基嘧啶 在 碳酸氢钠 、 potassium carbonate 、 肼 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 水 、 乙酸乙酯 为溶剂， 反应 33.0h， 生成 N-(4-chloro-5-(4-(4,6-dimethoxypyrimidin-2-yl)piperidin-1-yl)pyridazin-3-yl)-2-cyclopropylacetohydrazide
  参考文献：
  名称：

  [EN] POSITIVE ALLOSTERIC MODULATORS OF MGLUR2
  [FR] MODULATEURS ALLOSTÉRIQUES POSITIFS DE MGLUR2

  摘要：

  本公开通常涉及公式I的化合物，包括它们的盐，以及使用这些化合物的组合物和方法。这些化合物可以调节mGluR2受体，并且可能用于治疗中枢神经系统的各种疾病。公式（I）：

  公开号：

  WO2013192306A1

文献信息

• Positive Allosteric Modulators of MGLUR2
  申请人：BRISTOL-MYERS SQUIBB COMPANY

  公开号：US20150152113A1

  公开（公告）日：2015-06-04

  The disclosure generally relates to compounds of formula I, including their salts, as well as compositions and methods of using the compounds. The compounds modulate the mGluR2 receptor and may be useful for the treatment of various disorders of the central nervous system. Formula (I):

  该披露通常涉及I式化合物，包括它们的盐，以及使用这些化合物的组合物和方法。这些化合物可以调节mGluR2受体，可能有助于治疗中枢神经系统的各种疾病。 I式：
• PYRAZOLE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS
  申请人：NAZARÉ Marc

  公开号：US20110039829A1

  公开（公告）日：2011-02-17

  The present invention relates to compounds of the formula I, wherein R1; R2; Z; A; B; D; Q; J; V; G and M have the meanings indicated in the claims. The compounds of the formula I are valuable pharmacologically active compounds. They exhibit a strong anti-aggregating effect on platelets and thus an anti-thrombotic effect and are suitable, e.g., for the therapy and prophylaxis of cardio-vascular disorders like thromboembolic diseases or restenoses. They are reversible antagonists of the platelet ADP receptor P2Y12, and can in general be applied in conditions in which an undesired activation of the platelet ADP receptor P2Y12 is present or for the cure or prevention of which an inhibition of the platelet ADP receptor P2Y12 is intended. The invention furthermore relates to processes for the preparation of compounds of the formula I, their use, in particular as active ingredients in pharmaceuticals, and pharmaceutical preparations comprising them.

  本发明涉及公式I的化合物，其中R1; R2; Z; A; B; D; Q; J; V; G和M具有所述声明中指示的含义。公式I的化合物是有价值的药理活性化合物。它们表现出强烈的抗血小板聚集作用，从而具有抗血栓作用，并适用于治疗和预防心血管疾病，如血栓栓塞性疾病或再狭窄。它们是血小板ADP受体P2Y12的可逆拮抗剂，并且通常适用于存在不良激活血小板ADP受体P2Y12的情况或者治愈或预防需要抑制血小板ADP受体P2Y12的情况。本发明还涉及公式I的化合物的制备过程，它们的使用，特别是作为药物中的活性成分，以及包含它们的制药制剂。
• Translating Planar Heterocycles into Three‐Dimensional Analogs by Photoinduced Hydrocarboxylation**
  作者：Myriam Mikhael、Sara N. Alektiar、Charles S. Yeung、Zachary K. Wickens

  DOI：10.1002/anie.202303264

  日期：2023.7.24

  We report a new strategy that translates indoles and related heterocycles into diverse 3D analogs by dearomative hydrocarboxylation. The transformation is highly chemoselective, broad in scope, operationally simple, and readily amenable to high-throughput experimentation (HTE).

  我们报告了一种新策略，通过脱芳烃加氢羧化将吲哚和相关杂环化合物转化为多种 3D 类似物。该转化具有高度化学选择性、范围广泛、操作简单且易于进行高通量实验（HTE）。
• US8598179B2
  申请人：——

  公开号：US8598179B2

  公开（公告）日：2013-12-03
• [EN] PYRAZOLE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS<br/>[FR] DÉRIVÉS DE PYRAZOLE-CARBOXAMIDE UTILES EN TANT QU'ANTAGONISTES DE P2Y12
  申请人：SANOFI AVENTIS

  公开号：WO2009080227A2

  公开（公告）日：2009-07-02

  The present invention relates to compounds of the Formula (I), wherein R1; R2; Z; A; B; D; Q; J; V; G and M have the meanings indicated in the claims. The compounds of the formula I are valuable pharmacologically active compounds. They exhibit a strong anti-aggregating effect on platelets and thus an anti-thrombotic effect and are suitable e.g. for the therapy and prophylaxis of cardio-vascular disorders like thromboembolic diseases or restenoses. They are reversible antagonists of the platelet ADP receptor P2Y12, and can in general be applied in conditions in which an undesired activation of the platelet ADP receptor P2Y12 is present or for the cure or prevention of which an inhibition of the platelet ADP receptor P2Y12 is intended. The invention furthermore relates to processes for the preparation of compounds of the Formula (I), their use, in particular as active ingredients in pharmaceuticals, and pharmaceutical preparations comprising them.