2-hydroxy-N,N-dimethyl-3-[[2-[[(R)-[5-methyl-4-(1-methylethyl)-2-furanyl]propyl]amino]-3,4-dioxo-1-cyclobuten-1-yl]amino]-benzamide | 1000993-51-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-hydroxy-N,N-dimethyl-3-[[2-[[(R)-[5-methyl-4-(1-methylethyl)-2-furanyl]propyl]amino]-3,4-dioxo-1-cyclobuten-1-yl]amino]-benzamide
• 英文别名: 2-hydroxy-3-((2-(((1R)-1-(4-isopropyl-5-methyl-2-furyl)propyl)amino)-3,4-dioxo-1-cyclobut-1-en-1-yl)amino)-N,N-dimethylbenzamide；2-hydroxy-3-[(2-{[(1R)-1-(4-isopropyl-5-methyl-2-furyl)propyl]amino}-3,4-dioxocyclobut-1-en-1-yl)amino]-N,N-dimethylbenzamide；2-hydroxy-N,N-dimethyl-3-[[2-[[(1R)-1-(5-methyl-4-propan-2-ylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]benzamide
• CAS: 1000993-51-0
• 化学式: C₂₄H₂₉N₃O₅
• 分子量: 439.511
• InChiKey: YWWMWBBNUKKYIC-MRXNPFEDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  32
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  112
• 氢给体数：
  3
• 氢受体数：
  7

文献信息

• [EN] PROCESS FOR CONTROLLED CRYSTAL SIZE IN 1,2-SUBSTITUTED 3,4-DIOXO-1-CYCLOBUTENE COMPOUNDS<br/>[FR] PROCÉDÉ POUR OBTENIR UNE TAILLE DE CRISTAUX CONTRÔLÉE DANS DES COMPOSÉS 3,4-DIOXO-1-CYCLOBUTÈNE 1,2-SUBSTITUÉS
  申请人：SCHERING CORP

  公开号：WO2009005802A1

  公开（公告）日：2009-01-08

  This application discloses a novel process for the preparation of 2-Hydroxy-N,N-dimethyl-3-[[2-[[1(R)-(5-methyl-2-furanyl)propyl]amino]-3,4-dioxo-1-cyclobuten-1-yl]amino]benzamide, which has utility, for example, in the treatment of CXC chemokine-mediated diseases.

  该应用程序披露了一种新颖的制备2-羟基-N，N-二甲基-3-[[2-[[1(R)-(5-甲基-2-呋喃基)丙基]氨基]-3,4-二氧杂环丁-1-基]氨基]苯甲酰胺的方法，该方法在治疗CXC趋化因子介导的疾病中具有实用性。
• [EN] PROCESS AND INTERMEDIATES FOR THE SYNTHESIS OF 1,2-SUBSTITUTED 3,4-DIOXO-1-CYCLOBUTENE COMPOUNDS<br/>[FR] PROCÉDÉ ET INTERMÉDIAIRES DE SYNTHÈSE DE COMPOSÉS DE 3,4-DIOXO-1-CYCLOBUTÈNE 1,2-SUBSTITUÉS
  申请人：SCHERING CORP

  公开号：WO2009005801A1

  公开（公告）日：2009-01-08

  This application discloses a novel process for the preparation of 1.2 - substituted 3, 4 - dioxo - 1 - cyclobutene compounds of formula (A), which have utility, for example, in the treatment of CXC chemokine -mediated diseases, and intermediates useful in the synthesis thereof.

  该应用程序披露了一种新颖的制备1,2-取代3,4-二氧基-1-环丁烯化合物（A）的过程，该化合物在治疗CXC趋化因子介导的疾病等方面具有用途，并且还披露了在其合成中有用的中间体。
• 3,4-DI-SUBSTITUTED CYCLOBUTENE-1,2-DIONES AS CXC-CHEMOKINE RECEPTOR LIGANDS
  申请人：Chao Jianhua

  公开号：US20080045489A1

  公开（公告）日：2008-02-21

  Disclosed are novel cyclobutenedione Compounds 1 to 18 comprising a cyclobutenedione ring, a substituted phenyl ring, and a —CH(C 2 H 5 )-furan moiety. The phenyl ring and the —CH(C 2 H 5 )-furan moiety are each bound to the cyclobutenedione ring through a —NH— moiety. Also disclosed are methods of treating chemokine mediated diseases (e.g., cancer, COPD, acute and chronic inflammatory disorders, psoriasis, cystic fibrosis, and asthma) using the novel Compounds 1 to 18.

  本发明涉及一种新型环丁烯二酮化合物1到18，包括一个环丁烯二酮环、一个取代苯环和一个—CH（C2H5）-呋喃基团。苯环和—CH（C2H5）-呋喃基团分别通过—NH—基团与环丁烯二酮环相连。本发明还涉及使用这些新化合物1到18治疗趋化因子介导的疾病的方法（例如癌症、COPD、急性和慢性炎症性疾病、牛皮癣、囊性纤维化和哮喘）。
• PROCESS FOR CONTROLLED CRYSTAL SIZE IN 1,2-SUBSTITUTED 3,4-DIOXO-1-CYCLOBUTENE COMPOUNDS
  申请人：Liotta Vincenzo

  公开号：US20100249439A1

  公开（公告）日：2010-09-30

  This application discloses a novel process for the preparation of 2-Hydroxy-N,N-dimethyl-3-[[2-[[1(R)-(5-methyl-2-furanyl)propyl]amino]-3,4-dioxo-1-cyclobuten-1-yl]amino]benzamide, which has utility, for example, in the treatment of CXC chemokine-mediated diseases.

  本申请公开了一种新型的制备2-羟基-N，N-二甲基-3-[[2-[[1（R）-（5-甲基-2-呋喃基）丙基]氨基]-3,4-二氧杂-1-环丁烷-1-基]氨基]苯甲酰胺的方法，该方法具有实用性，例如在治疗CXC趋化因子介导的疾病方面。
• PROCESS AND INTERMEDIATES FOR THE SYNTHESIS OF 1,2-SUBSTITUTED 3,4-DIOXO-1-CYCLOBUTENE COMPOUNDS
  申请人：Schering Corporation

  公开号：EP2178826A1

  公开（公告）日：2010-04-28