2-氨基-4-乙基-6-甲基烟腈 | 93953-34-5

• 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: 2-氨基-4-乙基-6-甲基烟腈
• 英文名称: 2-amino-4-ethyl-6-methyl-3-pyridinecarbonitrile
• 英文别名: 2-amino-4-ethyl-6-methylnicotinonitrile；2-Amino-4-ethyl-6-methylpyridine-3-carbonitrile
• CAS: 93953-34-5
• 化学式: C₉H₁₁N₃
• 分子量: 161.206
• InChiKey: OYKPYWYBGLWWAC-UHFFFAOYSA-N

物化性质

• 熔点：
  233-235 °C(Solv: tetrahydrofuran (109-99-9))
• 沸点：
  312.4±42.0 °C(Predicted)
• 密度：
  1.11±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  62.7
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2933399090

反应信息

• 作为反应物：
  描述：

  2-氨基-4-乙基-6-甲基烟腈 在 水 、 双氧水 、 potassium hydroxide 作用下， 以 乙醇 、 水 为溶剂， 反应 6.0h， 生成
  参考文献：
  名称：

  发现一类新的可选择性抑制微生物碳酸酐酶的抗真菌剂。

  摘要：

  如今，由对可用抗菌治疗具有抗性的病原体引起的感染如今已成为对全球公共健康的威胁。近来，已经证明碳酸酐酶（CA）对于许多病原体的生长是必不可少的，并且它们的抑制导致生长缺陷。使用CA抑制剂（CAI）作为抗菌剂的主要缺点是由于对人CA同工型缺乏选择性而产生的副作用。在本文中，我们报告了一类新的CAI，与人类CA活性位点相比，它优先与微生物CA活性位点相互作用。研究了这些抑制剂对重要的真菌病原体新隐球菌的作用机理，发现它们还能够抑制体外生长的微生物细胞中的CA。据我们所知，

  DOI：

  10.1080/14756366.2018.1516652
• 作为产物：
  描述：

  4-methyl-6-ethyl-1-phenyl-2(1H)-pyrimidinethione 、 丙二腈 在 sodium ethanolate 作用下， 以 乙醇 为溶剂， 反应 7.0h， 以83%的产率得到2-氨基-4-乙基-6-甲基烟腈
  参考文献：
  名称：

  Katoh, Akira; Omote, Yoshimori; Kashima, Choji, Chemical and pharmaceutical bulletin, 1984, vol. 32, # 8, p. 2942 - 2946

  摘要：

  DOI：

文献信息

• Method of using aminocyanopyridine compounds as mitogen activated protein kinase-activated protein kinase-2 inhibitors
  申请人：Pharmacia Corporation

  公开号：US20040127519A1

  公开（公告）日：2004-07-01

  A method is described for inhibiting mitogen activated protein kinase-activated protein kinase-2 in a subject in need of such inhibition, where the method involves administering to the subject an anminocyanopyridine MK-2 inhibiting compound, or a pharmaceutically acceptable salt thereof.

  本文描述了一种抑制需要抑制的受试者中的有丝分裂原活化蛋白激酶激活蛋白激酶-2的方法，其中该方法涉及向受试者给予一种抑制MK-2的氨基氰基吡啶化合物或其药学上可接受的盐。
• Aminocyanopyridine inhibitors of mitogen activated protein kinase-activated protein kinase-2
  申请人：Pharmacia Corporation

  公开号：US20040142978A1

  公开（公告）日：2004-07-22

  Aminocyanopyridine compounds are described which can inhibit mitogen activated protein kinase-activated protein kinase-2. Pharmaceutical compositions and kits that contain these compounds are also described.

  描述了可抑制丝裂原活化蛋白激酶-活化蛋白激酶-2 的氨基氰吡啶化合物。还描述了含有这些化合物的药物组合物和试剂盒。
• One-pot synthesis of 2-amino-3-cyanopyridine derivatives catalyzed by ytterbium perfluorooctanoate [Yb(PFO)3]
  作者：Jun Tang、Limin Wang、Yinfang Yao、Liang Zhang、Wenbo Wang

  DOI：10.1016/j.tetlet.2010.11.102

  日期：2011.1

  A family of 2-amino-3-cyanopyridine derivatives are synthesized from aldehydes, ketones, malononitrile, and ammonium acetate via one-pot reaction catalyzed by ytterbium perfluorooctanoate [Yb(PFO)(3)]. This procedure tolerates most of substrates and has the advantages of short routine, high yields, and environmentally friendly. Furthermore, the possible mechanism is also proposed. (C) 2010 Elsevier Ltd. All rights reserved.
• 2-Aminonicotinic Acid 1-Oxides Are Chemically Stable Inhibitors of Quinolinic Acid Synthesis in the Mammalian Brain: A Step toward New Antiexcitotoxic Agents
  作者：Gian Paolo Vallerini、Laura Amori、Claudia Beato、Margarita Tararina、Xiao-Dan Wang、Robert Schwarcz、Gabriele Costantino

  DOI：10.1021/jm401249c

  日期：2013.12.12

  3-Hydroxyanthranilic acid 3,4-dioxygenase (3-HAO) is the enzyme responsible for the production of the neurotoxic tryptophan metabolite quinolinic acid (QUIN). Elevated brain levels of QUIN are observed in several neurodegenerative diseases, but pharmacological investigation on its role in the pathogenesis of these conditions is difficult because only one class of substrate-analogue 3-HAO inhibitors, with poor chemical stability, has been reported so far. Here we describe the design, synthesis, and biological evaluation of a novel class of chemically stable inhibitors based on the 2-aminonicotinic acid 1-oxide nucleus. After the preliminary in vitro evaluation of newly synthesized compounds using brain tissue homogenate, we selected the most active inhibitor and showed its ability to acutely reduce the production of QUIN in the rat brain in vivo. These findings provide a novel pharmacological tool for the study of the mechanisms underlying the onset and propagation of neurodegenerative diseases.
• KATOH, AKIRA;OMOTE, YOSHIMORI;KASHIMA, CHOJI, CHEM. AND PHARM. BULL., 1984, 32, N 8, 2942-2946
  作者：KATOH, AKIRA、OMOTE, YOSHIMORI、KASHIMA, CHOJI

  DOI：——

  日期：——