[4-(2-morpholin-4-yl-ethoxy)-naphthalen-1-yl]-oxo-acetyl chloride | 848144-33-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: [4-(2-morpholin-4-yl-ethoxy)-naphthalen-1-yl]-oxo-acetyl chloride
• 英文别名: 2-(4-(2-morpholinoethoxy)naphthalen-1-yl)-2-oxoacetyl chloride；2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetyl chloride
• CAS: 848144-33-2
• 化学式: C₁₈H₁₈ClNO₄
• 分子量: 347.798
• InChiKey: RTONNQIQTSSXGG-UHFFFAOYSA-N

物化性质

• 沸点：
  543.3±60.0 °C(Predicted)
• 密度：
  1.294±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  24
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  55.8
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  [4-(2-morpholin-4-yl-ethoxy)-naphthalen-1-yl]-oxo-acetyl chloride 、 3-叔丁基苯胺 在 碳酸氢钠 作用下， 以 乙酸乙酯 为溶剂， 反应 16.0h， 生成 N-(3-tert-butyl-phenyl)-2-[4-(2-morpholin-4-yl-ethoxy)-naphthalen-1-yl]-2-oxo-acetamide
  参考文献：
  名称：

  Optimization of α-ketoamide based p38 inhibitors through modifications to the region that binds to the allosteric site

  摘要：

  We have optimized a novel series of potent p38 MAP kinase inhibitors based on an alpha-ketoamide scaffold through structure based design that due to their extended molecular architecture bind, in addition to the ATP site, to an allosteric pocket. In vitro ADME, in vivo PK and efficacy studies show these compounds to have drug-like characteristics and have resulted in the nomination of a development candidate which is currently in phase II clinical trials for the oral treatment of inflammatory conditions. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.06.102
• 作为产物：
  描述：

  2-(4-(2-morpholinoethoxy)naphthalen-1-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 2.0h， 生成 [4-(2-morpholin-4-yl-ethoxy)-naphthalen-1-yl]-oxo-acetyl chloride
  参考文献：
  名称：

  The design and synthesis of novel α-ketoamide-based p38 MAP kinase inhibitors

  摘要：

  We have identified a novel series of potent p38 MAP kinase inhibitors through structure-based design which due to their extended molecular architecture bind, in addition to the ATP site, to an allosteric pocket. In vitro ADME and in vivo PK studies show these compounds to have drug-like characteristics which could result in the development of an oral treatment for inflammatory conditions. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.02.033

文献信息

• CYTOKINE INHIBITORS
  申请人：Boman Erik

  公开号：US20100093734A1

  公开（公告）日：2010-04-15

  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 arthritis.

  本发明提供了低分子量化合物，可用作细胞因子抑制剂及其组合物。特别是，本发明的化合物可用作抗炎剂。还提供了制备这种药剂的方法，以及其在预防或治疗由细胞因子介导的疾病，如关节炎方面的用途。
• Cytokine inhibitors
  申请人：Boman Erik

  公开号：US20050107399A1

  公开（公告）日：2005-05-19

  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 arthritis.

  本发明提供了低分子量化合物，作为细胞因子抑制剂以及其组合物。特别地，本发明的化合物可用作抗炎剂。此外，还提供了制备这些药剂的方法，并将它们用于预防或治疗由细胞因子介导的疾病，例如关节炎。
• Alpha-ketoamides and derivatives thereof
  申请人：Itherx Pharmaceuticals, Inc.

  公开号：US07749999B2

  公开（公告）日：2010-07-06

  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 arthritis.

  本发明提供了低分子量化合物，可用作细胞因子抑制剂及其组合物。特别地，本发明的化合物可用作抗炎剂。还提供了制备此类药剂的方法，并用于预防或治疗由细胞因子介导的疾病，如关节炎。
• ALPHA-KETOAMIDES AND DERIVATIVES THEREOF
  申请人：Boman Erik

  公开号：US20100273797A1

  公开（公告）日：2010-10-28

  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 medicated by cytokines such as arthritis.

  本发明提供了低分子量化合物，可用作细胞因子抑制剂及其组合物。特别地，本发明的化合物可用作抗炎剂。还提供了制备这些药剂的方法，并将其用于预防或治疗由细胞因子介导的疾病，例如关节炎。
• WO2008/89034
  申请人：——

  公开号：——

  公开（公告）日：——