甲基4-氰基-2-吡啶羧酸酯 | 142729-98-4

• 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: 甲基4-氰基-2-吡啶羧酸酯
• 英文名称: methyl 4-cyanopicolinate
• 英文别名: Methyl 4-cyanopyridine-2-carboxylate
• CAS: 142729-98-4
• 化学式: C₈H₆N₂O₂
• 分子量: 162.148
• InChiKey: FNYBXMRPDDEITK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  63
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 危险性防范说明：
  P280,P305+P351+P338
• 危险性描述：
  H302
• 储存条件：
  室温

反应信息

• 作为反应物：
  描述：

  甲基4-氰基-2-吡啶羧酸酯 在 sodium methylate 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 生成 Methyl 4-(4-chloro-1,3,5-triazin-2-yl)pyridine-2-carboxylate
  参考文献：
  名称：

  CYCLIC ANILINO-PYRIDINOTRIAZINES AS GSK-3 INHIBITORS

  摘要：

  公开号：

  EP1904461B1

文献信息

• BRIDGED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS
  申请人：BRISTOL-MYERS SQUIBB COMPANY

  公开号：US20190127358A1

  公开（公告）日：2019-05-02

  The present invention provides compounds of Formula (I): or stereoisomers, tautomers, or pharmaceutically acceptable salts or solvates thereof, wherein all the variables are as defined herein. These compounds modulate the activity of farnesoid X receptor (FXR), for example, as agonists. This invention also relates to pharmaceutical compositions comprising these compounds and methods of treating a disease, disorder, or condition associated with FXR dysregulation, such as pathological fibrosis, transplant rejection, cancer, osteoporosis, and inflammatory disorders, by using the compounds and pharmaceutical compositions.

  本发明提供了式（I）的化合物： 或其立体异构体、互变异构体或药学上可接受的盐或溶剂，其中所有变量如本文所定义。这些化合物调节法尼索尔X受体（FXR）的活性，例如作为激动剂。本发明还涉及包括这些化合物的药物组合物以及利用这些化合物和药物组合物治疗与FXR失调相关的疾病、紊乱或病况的方法，例如病理性纤维化、移植排斥、癌症、骨质疏松症和炎症性疾病。
• Electrochemical Synthesis of Hindered Primary and Secondary Amines via Proton-Coupled Electron Transfer
  作者：Dan Lehnherr、Yu-hong Lam、Michael C. Nicastri、Jinchu Liu、Justin A. Newman、Erik L. Regalado、Daniel A. DiRocco、Tomislav Rovis

  DOI：10.1021/jacs.9b10870

  日期：2020.1.8

  Accessing hindered amines, particularly primary amines α to a fully substituted carbon center, is synthetically challenging. We report an electrochemical method to access such hindered amines starting from benchtop-stable iminium salts and cyanoheteroarenes. A wide variety of substituted heterocycles (pyridine, pyrimidine, pyrazine, purine, azaindole) can be utilized in the cross-coupling reaction

  将受阻胺，特别是伯胺 α 连接到完全取代的碳中心，在合成上具有挑战性。我们报告了一种电化学方法，以从台式稳定的亚胺盐和氰基杂芳烃开始获取此类受阻胺。多种取代的杂环（吡啶、嘧啶、吡嗪、嘌呤、氮杂吲哚）可用于交叉偶联反应，包括被卤化物、三氟甲基、酯、酰胺或醚基团、杂环或未保护的杂环取代的杂环酒精或炔烃。基于 DFT 数据以及循环伏安法和 NMR 光谱的机理洞察表明，质子耦合电子转移机制作为 α-氨基自由基和源自氰基杂芳烃的自由基的杂双自由基交叉偶联的一部分是可操作的。
• SULFONAMIDE COMPOUND OR SALT THEREOF
  申请人：Kubota Hideki

  公开号：US20090312328A1

  公开（公告）日：2009-12-17

  [Object] A compound that can be used as an agent for treating a disease associated with an EP1 receptor, in particular, a lower urinary tract symptom. [Means for Solution] It was confirmed that a sulfonamide compound having an amide structure and characterized by a chemical structure in which a carbon atom in the amide bonds to the N atom in sulfonamide through lower alkylene, or a salt thereof, has a potent EP1 receptor antagonistic activity, accomplishing the present invention. Since the sulfonamide compound of the present invention or a pharmaceutically acceptable salt thereof has a potent EP1 receptor antagonistic activity, it is useful as an agent for treating a disease associated with an EP1 receptor, in particular, a lower urinary tract symptom.

  [物品] 一种化合物，可用作治疗与EP1受体相关的疾病的药剂，特别是下尿路症状的药剂。 [解决方案的手段] 确认了一种磺酰胺化合物，具有酰胺结构，其化学结构中的碳原子通过较低的烷基与磺酰胺中的N原子结合，或其盐，具有强大的EP1受体拮抗活性，从而实现了本发明。由于本发明的磺酰胺化合物或其药学上可接受的盐具有强大的EP1受体拮抗活性，因此它可用作治疗与EP1受体相关的疾病的药剂，特别是下尿路症状的药剂。
• Sulfonamide compound or salt thereof
  申请人：Astellas Pharma Inc.

  公开号：US07973078B2

  公开（公告）日：2011-07-05

  A compound that can be used as an agent for treating a disease associated with an EP1 receptor, in particular a lower urinary tract symptom. It was confirmed that a sulfonamide compound having an amide structure and characterized by a chemical structure in which a carbon atom in the amide bonds to the N atom in sulfonamide through lower alkylene, or a salt thereof, has a potent EP1 receptor antagonistic activity, accomplishing the present invention. Since the sulfonamide compound of the present invention or a pharmaceutically acceptable salt thereof has a potent EP1 receptor antagonistic activity, it is useful as an agent for treating a disease associated with an EP1 receptor, in particular, a lower urinary tract symptom.

  一种可用作治疗与EP1受体相关疾病的化合物，特别是下泌尿道症状的药剂。经确认，一种具有酰胺结构的磺酰胺化合物，其化学结构中酰胺中的碳原子通过较低的烷基与磺酰胺中的N原子结合，或其盐，具有强大的EP1受体拮抗活性，实现了本发明。由于本发明的磺酰胺化合物或其药学上可接受的盐具有强大的EP1受体拮抗活性，因此它可用作治疗与EP1受体相关疾病的药剂，特别是下泌尿道症状。
• Electricity-driven three-component reductive coupling reaction for the synthesis of diarylmethylamine
  作者：Lei Yang、Maolin Sun、Liming Cao、Chaoming Liang、Jiasheng Yang、Junjun Yi、Ruihua Cheng、Yueyue Ma、Jinxing Ye

  DOI：10.1039/d2cc05330f

  日期：——

  A three-component reductive coupling reaction of aldehydes, amines and cyanopyridines under electrochemical conditions has been developed. The in situ generated imine and cyanopyridine simultaneously undergo single-electron reduction at the cathode, and afford diarylmethylamines through radical coupling without the participation of reducing agents. The one-pot electrolysis method can modularly obtain

  已经开发了在电化学条件下醛、胺和氰基吡啶的三组分还原偶联反应。原位生成的亚胺和氰基吡啶在阴极同时进行单电子还原，在没有还原剂参与的情况下通过自由基偶联得到二芳基甲胺。一锅法电解法可模块化获得多种仲胺和叔胺，具有广泛的官能团相容性。机理实验验证了从亚胺到α-氨基自由基的关键还原步骤，并揭示了苯甲酸在降低亚胺和氰基吡啶的还原电位中的关键作用。