Methyl 2-(5-tert-butyl-2-methylfuran-3-yl)-2-oxoacetate | 908239-57-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: Methyl 2-(5-tert-butyl-2-methylfuran-3-yl)-2-oxoacetate
• CAS: 908239-57-6
• 化学式: C₁₂H₁₆O₄
• 分子量: 224.257
• InChiKey: AUYZBPYLPKPYOO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  56.5
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  Methyl 2-(5-tert-butyl-2-methylfuran-3-yl)-2-oxoacetate 在 lithium hydroxide 、 水 作用下， 以 四氢呋喃 为溶剂， 反应 1.0h， 生成 2-(5-Tert-butyl-2-methylfuran-3-yl)-2-oxoacetic acid
  参考文献：
  名称：

  ‘Reverse’ α-ketoamide-based p38 MAP kinase inhibitors

  摘要：

  We have identified a second series of potent p38 inhibitors. As with our first generation series, these compounds are based on an alpha-ketoamide scaffold. The reversal of the ketoamide order, however, introduces more chemical flexibility and in addition results in improve potencies against p38. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.09.028
• 作为产物：
  描述：

  甲醇 、 3-(5-Tert-butyl-2-methylfuran-3-yl)-3-oxo-2-(triphenyl-lambda5-phosphanylidene)propanenitrile 在 二甲基二环氧乙烷 作用下， 以 二氯甲烷 为溶剂， 反应 0.5h， 以92%的产率得到Methyl 2-(5-tert-butyl-2-methylfuran-3-yl)-2-oxoacetate
  参考文献：
  名称：

  ‘Reverse’ α-ketoamide-based p38 MAP kinase inhibitors

  摘要：

  We have identified a second series of potent p38 inhibitors. As with our first generation series, these compounds are based on an alpha-ketoamide scaffold. The reversal of the ketoamide order, however, introduces more chemical flexibility and in addition results in improve potencies against p38. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.09.028

文献信息

• [EN] CYTOKINE INHIBITORS AND THEIR USE IN THERAPY<br/>[FR] INHIBITEURS DES CYTOKINES ET UTILISATION THERAPEUTIQUE
  申请人：KEMIA INC

  公开号：WO2006091862A2

  公开（公告）日：2006-08-31

  [EN] The present invention relates to low molecular weight compounds and compositions thereof, useful as cytokine inhibitors, and their preparation. The invention further relates to methods of prevention and treatment of cytokine-mediated disorders, in particular inflammatory disorders, pain and cancer. The invention also relates to pharmaceutical compositions and dosing regimens. In particular, the invention relates to the use of cytokine inhibitors, optionally in conjunction with other therapies, for cancer, more particularly glioma, glioblastoma, osteosarcoma and bone metastases. Additionally, the present invention relates to methods of treating, modifying and managing pain, more particularly neuropathic pain, which comprise the administration of a cytokine inhibitor alone or in combination with known therapeutics.
  [FR] La présente invention concerne des composés de faible poids moléculaire et leurs compositions, utilisés comme inhibiteurs des cytokines, ainsi que leur préparation. L'invention concerne également des méthodes de prévention et de traitement des troubles médiés par les cytokines, en particulier les troubles inflammatoires, la douleur et le cancer. L'invention concerne également des compositions pharmaceutiques et des dosages posologiques. L'invention concerne en particulier l'utilisation des inhibiteurs des cytokines, éventuellement conjointement avec d'autres thérapies, dans le traitement du cancer, plus particulièrement du gliome, du glioblastome, de l'ostéosarcome et des métastases osseuses. La présente invention concerne, de plus, des méthodes de traitement, de modification et de gestion de la douleur, plus particulièrement des douleurs neuropathiques, consistant à administrer un inhibiteur des cytokines seul ou combiné à un traitement thérapeutique connu.
• ‘Reverse’ α-ketoamide-based p38 MAP kinase inhibitors
  作者：Antonio Garrido Montalban、Erik Boman、Chau-Dung Chang、Susana Conde Ceide、Russell Dahl、David Dalesandro、Nancy G.J. Delaet、Eric Erb、Andrew Gibbs、Jeff Kahl、Linda Kessler、Jan Lundström、Stephen Miller、Hiroshi Nakanishi、Ed Roberts、Eddine Saiah、Robert Sullivan、Zhijun Wang、Christopher J. Larson

  DOI：10.1016/j.bmcl.2008.09.028

  日期：2008.10

  We have identified a second series of potent p38 inhibitors. As with our first generation series, these compounds are based on an alpha-ketoamide scaffold. The reversal of the ketoamide order, however, introduces more chemical flexibility and in addition results in improve potencies against p38. (c) 2008 Elsevier Ltd. All rights reserved.