3-(2-(1-(5-ethylfuran-2-yl)propylamino)-3,4-dioxocyclobut-1-enylamino)-2-hydroxy-N,N-dimethylbenzamide | 473727-99-0

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 3-(2-(1-(5-ethylfuran-2-yl)propylamino)-3,4-dioxocyclobut-1-enylamino)-2-hydroxy-N,N-dimethylbenzamide
• 英文别名: 3-[[2-[1-(5-ethylfuran-2-yl)propylamino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide
• CAS: 473727-99-0
• 化学式: C₂₂H₂₅N₃O₅
• 分子量: 411.458
• InChiKey: NLXWGGVLQFIGKR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  30
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  112
• 氢给体数：
  3
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  3-[(2-乙氧基-3,4-二氧代-1-环丁基-1-氨基]-2-羟基-N,N-二甲基-苄胺 、 1-(5-Ethylfuran-2-yl)propan-1-amine 以 乙醇 为溶剂， 生成 3-(2-(1-(5-ethylfuran-2-yl)propylamino)-3,4-dioxocyclobut-1-enylamino)-2-hydroxy-N,N-dimethylbenzamide
  参考文献：
  名称：

  Synthesis and structure–activity relationships of heteroaryl substituted-3,4-diamino-3-cyclobut-3-ene-1,2-dione CXCR2/CXCR1 receptor antagonists

  摘要：

  Comprehensive SAR studies were undertaken in the 3,4-diaminocyclobut-3-ene-1,2-dione class of CXCR2/CXCR1 receptor antagonists to explore the role of the heterocycle on chemokine receptor binding affinities, functional activity, as well as oral exposure in rat. The nature of the heterocycle as well as the requisite substitution pattern around the heterocycle was shown to have a dramatic effect on the overall biological pro. le of this class of compounds. The furyl class, particularly the 4-halo adducts, was found to possess superior binding affinities for both the CXCR2 and CXCR1 receptors, functional activity, as well as oral exposure in rat versus other heterocyclic derivatives. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.01.024

文献信息

• 3,4-Di-substituted cyclobutene-1,2-diones as CXC-chemokine receptor ligands
  申请人：Taveras G. Arthur

  公开号：US20070021494A1

  公开（公告）日：2007-01-25

  There are disclosed compounds of the formula or a pharmaceutically acceptable salt or solvate thereof which are useful for the treatment of chemokine-mediated diseases such as acute and chronic inflammatory disorders and cancer.

  公开了以下化合物的公式或其药学上可接受的盐或溶剂，它们可用于治疗趋化因子介导的疾病，如急性和慢性炎症性疾病和癌症。
• 3,4-DI-SUBSTITUTED CYCLOBUTENE-1,2-DIONES AS CXC-CHEMOKINE RECEPTOR LIGANDS
  申请人：Taveras Arthur G.

  公开号：US20090306079A1

  公开（公告）日：2009-12-10

  There are disclosed compounds of the formula or a pharmaceutically acceptable salt or solvate thereof which are useful for the treatment of chemokine-mediated diseases such as acute and chronic inflammatory disorders and cancer.

  公开了以下式子的化合物，或其药学上可接受的盐或溶剂，其对于化学因子介导的疾病如急慢性炎症性疾病和癌症的治疗是有用的。
• 3,4-Di-Substituted Cyclobutene-1,2-Diones as CXC-Chemokine Receptor Ligands
  申请人：Taveras Arthur G.

  公开号：US20110213029A1

  公开（公告）日：2011-09-01

  There are disclosed compounds of the formula or a pharmaceutically acceptable salt or solvate thereof which are useful for the treatment of chemokine-mediated diseases such as acute and chronic inflammatory disorders and cancer.

  公开了以下式的化合物，或其药学上可接受的盐或溶剂，它们可用于治疗由趋化因子介导的疾病，如急性和慢性炎症性疾病和癌症。
• 3,4-DI-substituted cyclobutene-1,2-diones as CXC-chemokine receptor ligands
  申请人：SCHERING CORPORATION

  公开号：EP1818325A2

  公开（公告）日：2007-08-15

  There are disclosed compounds of the formula or a pharmaceutically acceptable salt or solvate thereof which are useful for the treatment of chemokine-mediated diseases such as acute and chronic inflammatory disorders and cancer.

  已公开的化合物式如下 或其药学上可接受的盐或溶液，可用于治疗由趋化因子介导的疾病，如急性和慢性炎症性疾病和癌症。
• US7964646B2
  申请人：——

  公开号：US7964646B2

  公开（公告）日：2011-06-21