2-(benzyloxy)-4,6-diphenylnicotinonitrile | 94360-38-0

• 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: 2-(benzyloxy)-4,6-diphenylnicotinonitrile
• 英文别名: 2-(Benzyloxy)-4,6-diphenylpyridine-3-carbonitrile；4,6-diphenyl-2-phenylmethoxypyridine-3-carbonitrile
• CAS: 94360-38-0
• 化学式: C₂₅H₁₈N₂O
• 分子量: 362.431
• InChiKey: PGFHKCAMENPFLK-UHFFFAOYSA-N

物化性质

• 沸点：
  541.2±50.0 °C(Predicted)
• 密度：
  1.23±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  28
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.04
• 拓扑面积：
  45.9
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2-(3-oxo-1,3-diphenylpropyl)malononitrile 在 氢氧化钾 、 溴 作用下， 以 溶剂黄146 为溶剂， 生成 2-(benzyloxy)-4,6-diphenylnicotinonitrile
  参考文献：
  名称：

  Shestopalov, A. M.; Promonenkov, V. K.; Sharanin, Yu. A., Journal of Organic Chemistry USSR (English Translation), 1984, vol. 20, # 7, p. 1382 - 1401

  摘要：

  DOI：

文献信息

• Synthesis of new substituted pyridine derivatives as potent anti-liver cancer agents through apoptosis induction: In vitro, in vivo, and in silico integrated approaches
  作者：Ahmed T.A. Boraei、Elsayed H. Eltamany、Ibrahim A.I. Ali、Sara M. Gebriel、Mohamed S. Nafie

  DOI：10.1016/j.bioorg.2021.104877

  日期：2021.6

  Liver cancer is the most common type of cancer in many countries. New studies and statistics show rising liver cancer worldwide, so it is essential to seek new agents for this type of cancer. PIM1 has an attractive target in the discovery of cancer medications as it is very much expressed in a variety of malignancies and influences such as tumorigenesis, cell cycle progression, cellular proliferation

  肝癌是许多国家最常见的癌症类型。新的研究和统计数据显示，全球肝癌呈上升趋势，因此寻找治疗此类癌症的新药物至关重要。PIM1 在癌症药物的发现中具有吸引人的目标，因为它在多种恶性肿瘤和影响（例如肿瘤发生、细胞周期进程、细胞增殖、细胞凋亡和细胞迁移）中大量表达。因此，合成了一系列吡啶酮和吡啶-酰胺并测试了抗肝癌活性。 在合成策略中，4,6-二芳基-3-氰基-2-吡啶酮3a-n使用一锅四组分合成方法合成。对 4,6-diphenyl-3-cayno-2-pyridone 3a进行结构修饰以增强活性。在K 2 CO 3存在下烷基化得到O-烷基化产物4-6。合成乙酰氧基酰肼7并环化成 1,3,4-恶二唑硫酮8，后者在硫上烷基化得到10。采用叠氮偶联法将2-(吡啶-2-基氧基)乙酰肼7与不同的胺和氨基酸酯偶联得到产物12a-e和13a-b。将合成的衍生物进行对HepG2和THLE-2细胞，细胞毒性化合
• [EN] COMPOUNDS AND METHODS FOR TREATING OR PREVENTING HEART FAILURE<br/>[FR] COMPOSÉS ET MÉTHODES DE TRAITEMENT OU DE PRÉVENTION D'INSUFFISANCE CARDIAQUE
  申请人：UNIV DREXEL

  公开号：WO2020146636A1

  公开（公告）日：2020-07-16

  The present invention relates to the discovery of novel compounds that can be used to treat and/or prevent heart failure in a subject. In certain embodiments, the compounds of the invention are sulfide: quinone oxidoreductase (SQOR) inhibitors. In other embodiments, the compounds of the invention increase physiological levels of H2S in the subject. In yet other embodiments, administration of the compounds of the invention treats and/or prevents hypertension, and/or atherosclerosis, and/or pathological cardiac remodeling that leads to heart failure in the subject.

  本发明涉及发现的新化合物，可用于治疗和/或预防受试者的心力衰竭。在某些实施例中，本发明的化合物是硫化物：喹喔醌氧还酶（SQOR）抑制剂。在其他实施例中，本发明的化合物增加受试者体内H2S的生理水平。在另一些实施例中，给予本发明的化合物治疗和/或预防受试者的高血压，和/或动脉粥样硬化，和/或导致心力衰竭的病理性心脏重塑。
• 10.1002/cplu.202400172
  作者：Salamanca-Perdigón, Kevin、Hurtado-Rodríguez, Diana、Portilla, Jaime、Iriepa, Isabel、Rojas, Hugo、Becerra, Diana、Castillo, Juan-Carlos

  DOI：10.1002/cplu.202400172

  日期：——

  Herein, a Cs2CO3‐promoted N‐alkylation of 3‐cyano‐2(1H)‐pyridones containing alkyl groups with diverse alkyl halides to synthesize N‐alkyl‐2‐pyridones over O‐alkylpyridines is reported. Alkyl dihalides resulted in complex mixtures of N‐ and O‐alkylated products. The primary factor influencing regioselectivity in these reactions is the electronic effects of substituents on the 2(1H)‐pyridone ring, as evidenced by the preferential formation of O‐alkylpyridines upon the introduction of aryl groups. Remarkably, we efficiently employed CuAAC and Ti(Oi‐Pr)4‐catalyzed amidation reactions to functionalize N‐alkyl‐2‐pyridones containing propargyl and ester groups, leading to the synthesis of 1,2,3‐triazoles and amides, respectively. Moreover, O‐alkylpyridines 10b and 10d displayed remarkable selectivity toward the A‐498 renal cancer cell line with growth inhibition percentages (%GI) of 54.75 and 67.64, respectively. The binding modes of compounds 10b and 10d to the PIM‐1 kinase enzyme were determined through molecular docking studies.
• Shestopalov, A. M.; Promonenkov, V. K.; Sharanin, Yu. A., Journal of Organic Chemistry USSR (English Translation), 1984, vol. 20, # 7, p. 1382 - 1401
  作者：Shestopalov, A. M.、Promonenkov, V. K.、Sharanin, Yu. A.、Rodinovskaya, L. A.、Sharanin, S. Yu.

  DOI：——

  日期：——