4-甲基-6-[1'-(5-甲基吡嗪-2-基)-4,4'-联哌啶-1-基]嘧啶-2-甲腈 | 1039743-15-1

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 4-甲基-6-[1'-(5-甲基吡嗪-2-基)-4,4'-联哌啶-1-基]嘧啶-2-甲腈
• 英文名称: 4-methyl-6-[1'-(5-methylpyrazin-2-yl)-4,4'-bipiperidin-1-yl]pyrimidine-2-carbonitrile
• 英文别名: 4-Methyl-6-(4-(1-(5-methylpyrazin-2-yl)piperidin-4-yl)piperidin-1-yl)pyrimidine-2-carbonitrile；4-methyl-6-[4-[1-(5-methylpyrazin-2-yl)piperidin-4-yl]piperidin-1-yl]pyrimidine-2-carbonitrile
• CAS: 1039743-15-1
• 化学式: C₂₁H₂₇N₇
• 分子量: 377.492
• InChiKey: PGXPWGAAHUNTQI-UHFFFAOYSA-N

物化性质

• 沸点：
  622.9±65.0 °C(Predicted)
• 密度：
  1.24±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  28
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  81.8
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  4-甲基-6-[1'-(5-甲基吡嗪-2-基)-4,4'-联哌啶-1-基]嘧啶-2-甲腈 、 苯甲酸 以 四氢呋喃 为溶剂， 以90.7%的产率得到
  参考文献：
  名称：

  开发化合物的两种新型药物共晶体–筛选，放大和表征

  摘要：

  已经开发了用于共晶筛选和放大的简化方法。此过程分为两部分：（1）一种用于快速识别潜在共晶铅的高通量筛选方法，（2）一种用于溶剂选择的新过程，可在三元相图中快速绘制关键区域，并确定共结晶放大程序。使用这种方法，我们发现并扩大了用于治疗II型糖尿病的药物活性化合物1的两种新的共晶形式。这种方法提供了超过2 g的适用于生物制药评估的共晶材料。还介绍和讨论了这些共晶体的物理化学特征和单晶X射线衍射数据。

  DOI：

  10.1021/cg201270s
• 作为产物：
  描述：

  N-boc-4,4-联哌啶 在 三氟乙酸 作用下， 生成 4-甲基-6-[1'-(5-甲基吡嗪-2-基)-4,4'-联哌啶-1-基]嘧啶-2-甲腈
  参考文献：
  名称：

  Design of potent and selective GPR119 agonists for type II diabetes

  摘要：

  Screening of the Merck sample collection identified compound 1 as a weakly potent GPR119 agonist (hEC(50) = 3600 nM). Dual termini optimization of 1 led to compound 36 having improved potency, selectivity, and formulation profile, however, modest physical properties (PP) hindered its utility. Design of a new core containing a cyclopropyl restriction yielded further PP improvements and when combined with the termini SAR optimizations yielded a potent and highly selective agonist suitable for further preclinical development (58). (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.12.086

文献信息

• [EN] SOLUBLE EPOXIDE HYDROLASE INHIBITORS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT<br/>[FR] INHIBITEURS DE L'ÉPOXYDE HYDROLASE SOLUBLES, COMPOSITIONS CONTENANT CES COMPOSÉS ET PROCÉDÉS DE TRAITEMENT
  申请人：MERCK & CO INC

  公开号：WO2009111207A1

  公开（公告）日：2009-09-11

  Compounds of the formula: as well as pharmaceutically acceptable salts and hydrates thereof, that are useful for treating diabetes, inflammation, atherosclerosis, hypertension, pain and the like are disclosed. Pharmaceutical compositions and methods of use are also included.

  公开了以下化合物的公式：以及其药学上可接受的盐和水合物，用于治疗糖尿病，炎症，动脉硬化，高血压，疼痛等。还包括药物组合物和使用方法。
• BIPIPERIDINYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT
  申请人：Wood Harold B.

  公开号：US20100029688A1

  公开（公告）日：2010-02-04

  Bipiperidinyl compounds of the formula I, are disclosed as useful for treating or preventing type 2 diabetes and similar conditions. Pharmaceutically acceptable salts and solvates are included as well. The compounds are useful as agonists of the g-protein coupled receptor GPR-119.

  公开了式I的双哌啶化合物，可用于治疗或预防2型糖尿病和类似疾病。药学上可接受的盐和溶剂也包括在内。这些化合物是G蛋白偶联受体GPR-119的激动剂。
• SOLUBLE EPOXIDE HYDROLASE INHIBITORS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT
  申请人：Yang Cangming

  公开号：US20110039860A1

  公开（公告）日：2011-02-17

  Compounds of the formula (I) or a pharmaceutically acceptable salt or solvate thereof is disclosed. The compounds are useful for treating diabetes, inflammation, atherosclerosis, hypertension, pain and the like. Pharmaceutical compositions and methods of use are also included.

  本发明揭示了式(I)的化合物或其药学上可接受的盐或溶剂。这些化合物可用于治疗糖尿病、炎症、动脉硬化、高血压、疼痛等。此外，还包括制药组合物和使用方法。
• BIPIPERIDINYL COMPOUNDS, COMPOSITIONS, CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT
  申请人：WOOD HAROLD B.

  公开号：US20120178681A1

  公开（公告）日：2012-07-12

  Bipiperidinyl compounds of the formula I, are disclosed as useful for treating or preventing type 2 diabetes and similar conditions. Pharmaceutically acceptable salts and solvates are included as well. The compounds are useful as agonists of the g-protein coupled receptor GPR-119.

  公开了式I的双哌啶化合物，可用于治疗或预防2型糖尿病和类似疾病。药学上可接受的盐和溶剂也包括在内。这些化合物可用作G蛋白偶联受体GPR-119的激动剂。
• Bipiperidinyl compounds, compositions, containing such compounds and methods of treatment
  申请人：Wood Harold B.

  公开号：US08445499B2

  公开（公告）日：2013-05-21

  Bipiperidinyl compounds of the formula: are disclosed as useful for treating or preventing type 2 diabetes and similar conditions. Pharmaceutically acceptable salts and solvates are included as well. The compounds are useful as agonists of the g-protein coupled receptor GPR-119.

  公开了式子如下的双哌啶化合物，用于治疗或预防2型糖尿病和类似疾病。药学上可接受的盐和溶剂化合物也包括在内。这些化合物是G蛋白偶联受体GPR-119的激动剂。