1-(3-tert-butyl-1-(4-hydroxylmethylphenyl)-1H-pyrazol-5-yl)-3-(4-(2-morpholinoethoxy)naphthalen-1-yl)urea | 285984-08-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1-(3-tert-butyl-1-(4-hydroxylmethylphenyl)-1H-pyrazol-5-yl)-3-(4-(2-morpholinoethoxy)naphthalen-1-yl)urea
• 英文别名: 1-[5-tert-Butyl-2-(4-hydroxymethyl-phenyl)-2H-pyrazol-3-yl]-3-(4-(2-morpholin-4-yl-ethoxy)-naphthalen-1-yl]-urea；1-[5-Tert-butyl-2-[4-(hydroxymethyl)phenyl]pyrazol-3-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea
• CAS: 285984-08-9
• 化学式: C₃₁H₃₇N₅O₄
• 分子量: 543.666
• InChiKey: NNBDAMZDWJNAEO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  40
• 可旋转键数：
  9
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  101
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  1-(3-tert-butyl-1-(4-methoxycarbonylphenyl)-1H-pyrazol-5-yl)-3-(4-(2-morpholinoethoxy)naphthalen-1-yl)urea 、 3-溴苯硼酸 在 sodium tetrahydroborate 作用下， 以 甲醇 为溶剂， 反应 1.0h， 以95%的产率得到1-(3-tert-butyl-1-(4-hydroxylmethylphenyl)-1H-pyrazol-5-yl)-3-(4-(2-morpholinoethoxy)naphthalen-1-yl)urea
  参考文献：
  名称：

  Synthesis of p38 MAP kinase inhibitor BIRB 796 and analogs via copper-mediated N-arylation reaction

  摘要：

  Direct N-arylation of urea (5) with various arylboronic acids mediated by cupric acetate furnished BIR8796 and a range of N-substituted BIRB796 analogs in good to moderate yields in one step. Urea (5) was readily synthesized from commercially available compounds. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2010.06.109

文献信息

• Methods of treating cytokine mediated diseases
  申请人：Boehringer Ingelheim Pharmaceuticals, Inc.

  公开号：US20030130309A1

  公开（公告）日：2003-07-10

  Disclosed are methods of treating certain cytokine mediated diseases or conditions using novel aromatic heterocyclic compounds of the formula(I) wherein Ar 1 ,Ar 2 ,L,Q and X are described herein. 1

  披露了使用公式(I)中描述的新芳香杂环化合物治疗特定细胞因子介导的疾病或症状的方法，其中Ar1，Ar2，L，Q和X如下所述。
• [EN] AROMATIC HETEROCYCLIC COMPOUNDS AS ANTIINFLAMMATORY AGENTS<br/>[FR] COMPOSES HETEROCYCLIQUES AROMATIQUES UTILISES COMME AGENTS ANTI-INFLAMMATOIRES
  申请人：BOEHRINGER INGELHEIM PHARMA

  公开号：WO2000043384A1

  公开（公告）日：2000-07-27

  Disclosed are novel aromatic heterocyclic compounds of formula (I) wherein Ar1, Ar2, L, Q and X are described herein. The compounds are useful in pharmaceutic compositions for treating diseases or pathological conditions involving inflammation such as chronic inflammatory diseases. Also disclosed are processes of making such compounds.

  本发明揭示了一种新的芳香族杂环化合物，其化学式为（I），其中Ar1，Ar2，L，Q和X如本文所述。这些化合物在制备药物组合物中有用，用于治疗涉及炎症的疾病或病理条件，如慢性炎症性疾病。本发明还揭示了制备这种化合物的方法。
• Aromatic heterocyclic compounds as antiinflammatory agents
  申请人：——

  公开号：US20020058678A1

  公开（公告）日：2002-05-16

  Disclosed are novel aromatic heterocyclic compounds of the formula(I) wherein Ar 1 , Ar 2 , L, Q and X are described herein. The compounds are useful in pharmaceutic compositions for treating diseases or pathological conditions involving inflammation such as chronic inflammatory diseases. Also disclosed are processes of making such compounds. 1

  本发明涉及一种新的芳香族杂环化合物，其化学式为(I)，其中Ar1、Ar2、L、Q和X的定义在此给出。这些化合物可用于制备药物组合物，用于治疗涉及炎症的疾病或病理条件，如慢性炎症性疾病。还公开了制备这些化合物的方法。
• Methods of treating cancer
  申请人：Boehringer Ingelheim Pharmaceuticals, Inc.

  公开号：US20040152725A1

  公开（公告）日：2004-08-05

  Disclosed are methods of treating certain cytokine mediated diseases or conditions using novel aromatic heterocyclic compounds of the formula(I) wherein Ar 1 , Ar 2 , L, Q and X are described herein. 1

  本发明揭示了使用式(I)中所述的新芳香族杂环化合物治疗某些细胞因子介导的疾病或病况的方法，其中Ar1、Ar2、L、Q和X的定义如本文所述。
• Methods of treating cytokine mediate diseases
  申请人：Boehringer Ingelheim Pharmaceuticals, Inc.

  公开号：EP1709965A2

  公开（公告）日：2006-10-11

  Disclosed are methods of treating certain cytokine mediated diseases or conditions using novel aromatic heterocyclic compounds of the formula(I) wherein Ar1,Ar2,L,Q and X are described herein.

  公开了使用式（I）的新型芳香杂环化合物治疗某些细胞因子介导的疾病或病症的方法，其中 Ar1、Ar2、L、Q 和 X 如本文所述。