N-(5-tert-butyl-2-p-tolyl-2H-pyrazole-3-yl)-2-methoxyimino-2-[4-(2-morpholin-4-yl-ethoxy)-naphthalen-1-yl]-acetamide | 848144-92-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: N-(5-tert-butyl-2-p-tolyl-2H-pyrazole-3-yl)-2-methoxyimino-2-[4-(2-morpholin-4-yl-ethoxy)-naphthalen-1-yl]-acetamide
• 英文别名: N-(5-tert-Butyl-2-p-tolyl-2H-pyrazol-3-yl)-2-methoxyimino-2-[4-(2-morpholin-4-yl-ethoxy)-naphthalen-1-yl]-acetamide；n-(5-Tert-butyl-2-p-tolyl-2h-pyrazol-3-yl)-2-methoxyimino-2-[4-(2-morpholin-4-yl-ethoxy)-naphthalen-1-yl]-acetamide；N-[5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl]-2-methoxyimino-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]acetamide
• CAS: 848144-92-3
• 化学式: C₃₃H₃₉N₅O₄
• 分子量: 569.704
• InChiKey: TVTBCDYUOFGZMO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.5
• 重原子数：
  42
• 可旋转键数：
  10
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  90.2
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  N-(5-tert-butyl-2-p-tolyl-2H-pyrazol-3-yl)-2-[4-(2-morpholin-4-yl-ethoxy)-naphthalen-1-yl]-2-oxo-acetamide 、 甲氧基胺盐酸盐 在 吡啶 作用下， 以 乙醇 为溶剂， 反应 12.0h， 以76%的产率得到N-(5-tert-butyl-2-p-tolyl-2H-pyrazole-3-yl)-2-methoxyimino-2-[4-(2-morpholin-4-yl-ethoxy)-naphthalen-1-yl]-acetamide
  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：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。
• 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，该发明中的化合物可用作抗炎剂。还提供了制备这些制剂的方法以及它们在预防或治疗由细胞因子介导的疾病，如关节炎中的应用。
• 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。
• The design and synthesis of novel 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、Justin T. Ernst、Andrew Gibbs、Jeffrey Kahl、Linda Kessler、Jan Lundström、Stephen Miller、Hiroshi Nakanishi、Edward Roberts、Eddine Saiah、Robert Sullivan、Zhijun Wang、Christopher J. Larson

  DOI：10.1016/j.bmcl.2008.02.033

  日期：2008.3

  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.