2,6-二氯-4-乙氧基吡啶 | 894804-42-3

• 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: 2,6-二氯-4-乙氧基吡啶
• 英文名称: 2,6-dichloro-4-ethoxypyridine
• CAS: 894804-42-3
• 化学式: C₇H₇Cl₂NO
• mdl: MFCD11044317
• 分子量: 192.045
• InChiKey: OYUWCAQLQJVPMJ-UHFFFAOYSA-N

物化性质

• 沸点：
  269.9±35.0 °C(Predicted)
• 密度：
  1.305±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.285
• 拓扑面积：
  22.1
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2933399090
• 危险性防范说明：
  P280,P305+P351+P338
• 危险性描述：
  H302

反应信息

• 作为反应物：
  描述：

  2,6-二氯-4-乙氧基吡啶 在 吡啶 、 咪唑 、 ammonium hydroxide 、 三氯氧磷 作用下， 以 1,4-二氧六环 为溶剂， 反应 25.17h， 生成 N-(6-Amino-5-cyano-4-ethoxy-pyridin-2-yl)-acetamide
  参考文献：
  名称：

  Aminopyridine-Based c-Jun N-Terminal Kinase Inhibitors with Cellular Activity and Minimal Cross-Kinase Activity

  摘要：

  The c-Jun N-terminal kinases (JNK-1, -2, and -3) are members of the mitogen activated protein (MAP) kinase family of enzymes. They are activated in response to certain cytokines, as well as by cellular stresses including chemotoxins, peroxides, and irradiation. They have been implicated in the pathology of a variety of different diseases with an inflammatory component including asthma, stroke, Alzheimer's disease, and type 2 diabetes mellitus. In this work, high-throughput screening identified a JNK inhibitor with an excellent kinase selectivity profile. Using X-ray crystallography and biochemical screening to guide our lead optimization, we prepared compounds with inhibitory potencies in the low-double-digit nanomolar range, activity in whole cells, and pharmacokinetics suitable for in vivo use. The new compounds were over 1,000-fold selective for JNK-1 and -2 over other MAP kinases including ERK2, p38alpha, and p38delta and showed little inhibitory activity against a panel of 74 kinases.

  DOI：

  10.1021/jm060199b
• 作为产物：
  描述：

  2,4,6-三氯吡啶 、 乙醇 在 氢氧化钾 作用下， 反应 0.5h， 以39%的产率得到2,6-二氯-4-乙氧基吡啶
  参考文献：
  名称：

  Aminopyridine-Based c-Jun N-Terminal Kinase Inhibitors with Cellular Activity and Minimal Cross-Kinase Activity

  摘要：

  The c-Jun N-terminal kinases (JNK-1, -2, and -3) are members of the mitogen activated protein (MAP) kinase family of enzymes. They are activated in response to certain cytokines, as well as by cellular stresses including chemotoxins, peroxides, and irradiation. They have been implicated in the pathology of a variety of different diseases with an inflammatory component including asthma, stroke, Alzheimer's disease, and type 2 diabetes mellitus. In this work, high-throughput screening identified a JNK inhibitor with an excellent kinase selectivity profile. Using X-ray crystallography and biochemical screening to guide our lead optimization, we prepared compounds with inhibitory potencies in the low-double-digit nanomolar range, activity in whole cells, and pharmacokinetics suitable for in vivo use. The new compounds were over 1,000-fold selective for JNK-1 and -2 over other MAP kinases including ERK2, p38alpha, and p38delta and showed little inhibitory activity against a panel of 74 kinases.

  DOI：

  10.1021/jm060199b

文献信息

• [EN] 3-AMINO PYRROLIDINE AND PIPERIDINE MACROCYCLIC OREXIN RECEPTOR AGONISTS<br/>[FR] AGONISTES DU RÉCEPTEUR DE L'OREXINE DE TYPE 3-AMINO PYRROLIDINE ET PIPÉRIDINE MACROCYCLIQUE
  申请人：MERCK SHARP & DOHME

  公开号：WO2022109117A1

  公开（公告）日：2022-05-27

  The present invention is directed to 3-amino pyrrolidine and piperidine macrocyclic compounds which are agonists of orexin receptors. The present invention is also directed to uses of the compounds described herein in the potential treatment or prevention of neurological and psychiatric disorders and diseases in which orexin receptors are involved. The present invention is also directed to compositions comprising these compounds. The present invention is also directed to uses of these compositions in the potential prevention or treatment of such diseases in which orexin receptors are involved.

  本发明涉及3-氨基吡咯烷和哌啶大环化合物，其为促进荷尔蒙受体的激动剂。本发明还涉及所述化合物在潜在的神经和精神障碍和疾病的治疗或预防中的用途，其中荷尔蒙受体参与其中。本发明还涉及包含这些化合物的组合物。本发明还涉及这些组合物在潜在的预防或治疗荷尔蒙受体参与的疾病中的用途。
• Aminopyridine-Based c-Jun N-Terminal Kinase Inhibitors with Cellular Activity and Minimal Cross-Kinase Activity
  作者：Bruce G. Szczepankiewicz、Christi Kosogof、Lissa T. J. Nelson、Gang Liu、Bo Liu、Hongyu Zhao、Michael D. Serby、Zhili Xin、Mei Liu、Rebecca J. Gum、Deanna L. Haasch、Sanyi Wang、Jill E. Clampit、Eric F. Johnson、Thomas H. Lubben、Michael A. Stashko、Edward T. Olejniczak、Chaohong Sun、Sarah A. Dorwin、Kristi Haskins、Cele Abad-Zapatero、Elizabeth H. Fry、Charles W. Hutchins、Hing L. Sham、Cristina M. Rondinone、James M. Trevillyan

  DOI：10.1021/jm060199b

  日期：2006.6.1

  The c-Jun N-terminal kinases (JNK-1, -2, and -3) are members of the mitogen activated protein (MAP) kinase family of enzymes. They are activated in response to certain cytokines, as well as by cellular stresses including chemotoxins, peroxides, and irradiation. They have been implicated in the pathology of a variety of different diseases with an inflammatory component including asthma, stroke, Alzheimer's disease, and type 2 diabetes mellitus. In this work, high-throughput screening identified a JNK inhibitor with an excellent kinase selectivity profile. Using X-ray crystallography and biochemical screening to guide our lead optimization, we prepared compounds with inhibitory potencies in the low-double-digit nanomolar range, activity in whole cells, and pharmacokinetics suitable for in vivo use. The new compounds were over 1,000-fold selective for JNK-1 and -2 over other MAP kinases including ERK2, p38alpha, and p38delta and showed little inhibitory activity against a panel of 74 kinases.