2-(5-Tert-butyl-2-methylfuran-3-yl)-2-oxoacetic acid | 1041054-98-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-(5-Tert-butyl-2-methylfuran-3-yl)-2-oxoacetic acid
• CAS: 1041054-98-1
• 化学式: C₁₁H₁₄O₄
• 分子量: 210.23
• InChiKey: AJIRDTAHWYQBEG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  67.5
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-(5-Tert-butyl-2-methylfuran-3-yl)-2-oxoacetic acid 在 草酰氯 、 N,N-二甲基甲酰胺 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 生成 2-(5-(tert-butyl)-2-methylfuran-3-yl)-2-oxoacetyl chloride
  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：

  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

文献信息

• [EN] CYTOKINE INHIBITORS<br/>[FR] INHIBITEURS DE CYTOKINE
  申请人：KEMIA INC

  公开号：WO2008089034A2

  公开（公告）日：2008-07-24

  [EN] The present invention provides low molecular weight compounds useful as cytokine inhibitors, and compositions thereof. In particular, compounds of the invention are useful as anti-inflammatory agents. There are further provided methods for the preparation of such agents and their use in preventing or treating conditions mediated by cytokines, such as for example arthritis, pain, cardiovascular disease and cancer.
  [FR] La présente invention concerne des composés de faible masse moléculaire utiles comme inhibiteurs de cytokine et des compositions de ceux-ci. En particulier, des composés de l'invention sont utiles comme agents anti-inflammatoires. Il est en outre proposé des procédés pour la préparation de tels agents et leur utilisation pour la prévention ou le traitement d'affections véhiculées par des cytokines, telles que par exemple l'arthrite, la douleur, la maladie cardiovasculaire et le cancer.
• ‘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.