1-(2,4-dihydroxy-6-methylphenyl)-2-(pyridin-2-yl)ethan-1-one | 65047-19-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-(2,4-dihydroxy-6-methylphenyl)-2-(pyridin-2-yl)ethan-1-one
• 英文别名: 1-(2,4-Dihydroxy-6-methylphenyl)-2-pyridin-2-ylethanone
• CAS: 65047-19-0
• 化学式: C₁₄H₁₃NO₃
• 分子量: 243.262
• InChiKey: RMNRXQMQPHMEJG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  70.4
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-(2,4-dihydroxy-6-methylphenyl)-2-(pyridin-2-yl)ethan-1-one 在 吡啶 、 sodium hydroxide 、 potassium carbonate 作用下， 以 乙醇 、 丙酮 为溶剂， 生成 2-(7-methoxy-2,5-dimethyl-4-oxo-4H-chromen-3-yl)-1-methyl-pyridinium; methyl sulfate
  参考文献：
  名称：

  Chemistry of heteroanalogs of isoflavones

  摘要：

  DOI：

  10.1007/bf00472444
• 作为产物：
  描述：

  2,4-二羟基-6-甲基甲酸乙酯 在 盐酸 、 正丁基锂 、 二异丙胺 作用下， 以 四氢呋喃 、 乙醇 、 正己烷 、 二氯甲烷 、 水 为溶剂， 反应 6.0h， 生成 1-(2,4-dihydroxy-6-methylphenyl)-2-(pyridin-2-yl)ethan-1-one
  参考文献：
  名称：

  Design, synthesis, and biological evaluation of inhibitors of the NADPH oxidase, Nox4

  摘要：

  NADPH oxidases (Nox enzymes) are critical mediators of both physiologic and pathophysiologic processes. Nox enzymes catalyze NADPH-dependent generation of reactive oxygen species (ROS), including superoxide and hydrogen peroxide. Until recently, Nox4 was proposed to be involved exclusively in normal physiologic functions. Compelling evidence, however, suggests that Nox4 plays a critical role in fibrosis, as well as a host of pathologies and diseases. These considerations led to a search for novel, small molecule inhibitors of this important enzyme. Ultimately, a series of novel tertiary sulfonylureas (23-25) was designed using pharmacophore modeling, synthesized, and evaluated for inhibition of Nox4-dependent signaling. (C) 2017 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2017.12.023

文献信息

• [EN] NADPH OXIDASE INHIBITORS AND USES THEREOF<br/>[FR] INHIBITEURS DE LA NADPH OXYDASE ET LEUR UTILISATION
  申请人：UNIV EMORY

  公开号：WO2019023448A1

  公开（公告）日：2019-01-31

  This disclosure relates to compounds and methods of treating or preventing a Nox related disease or condition comprising administering to a subject in need thereof a Nox inhibitor or pharmaceutical compositions comprising a Nox inhibitor disclosed herein, derivatives, or compounds disclosed herein optionally substituted with one or more substitutes including optional salt and prodrug forms. In certain embodiments, this disclosure relates to sulfonylurea compounds and uses reported herein.

  本公开涉及化合物和治疗或预防与Nox相关的疾病或症状的方法，包括向需要的受试者施用本公开披露的Nox抑制剂或含有本公开披露的Nox抑制剂、衍生物或化合物的药物组合物，该药物组合物可选择地用一个或多个替代物替代，包括可选的盐和前药形式。在某些实施例中，本公开涉及磺酰脲化合物和此处报告的用途。
• NADPH oxidase inhibitors and uses thereof
  申请人：Emory University

  公开号：US11236053B2

  公开（公告）日：2022-02-01

  This disclosure relates to compounds and methods of treating or preventing a Nox related disease or condition comprising administering to a subject in need thereof a Nox inhibitor or pharmaceutical compositions comprising a Nox inhibitor disclosed herein, derivatives, or compounds disclosed herein optionally substituted with one or more substitutes including optional salt and prodrug forms. In certain embodiments, this disclosure relates to sulfonylurea compounds and uses reported herein.

  本公开涉及治疗或预防与Nox相关的疾病或病症的化合物和方法，包括向有需要的受试者施用Nox抑制剂或药物组合物，其中包含本文公开的Nox抑制剂、衍生物或本文公开的化合物，可任选被一种或多种替代物取代，包括任选的盐和原药形式。在某些实施方案中，本公开涉及本文所报道的磺酰脲化合物及其用途。
• KUPCHEVSKAYA, I. P.;XILYA, V. P., DOKL. AN YCCP, 1981, N 6, 66-70
  作者：KUPCHEVSKAYA, I. P.、XILYA, V. P.

  DOI：——

  日期：——
• XILYA V. P.; KUPCHEVSKAYA I. P.; SALIXOVA A. I.; GRISHKO L. G.; BABICHEV +, XIMIYA GETEROTSIKL. COE
  作者：XILYA V. P.、 KUPCHEVSKAYA I. P.、 SALIXOVA A. I.、 GRISHKO L. G.、 BABICHEV +

  DOI：——

  日期：——
• XILYA V. P.; GRISHKO L. G.; ZHIROVA T. I.; KUPCHEVSKAYA I. P., UKR. XIM. ZH., 1978, 44, HO 10, 1081-1087
  作者：XILYA V. P.、 GRISHKO L. G.、 ZHIROVA T. I.、 KUPCHEVSKAYA I. P.

  DOI：——

  日期：——