ethyl 1-{3-[(tert-butoxycarbonyl)-amino]propyl}-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxylate | 723339-60-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: ethyl 1-{3-[(tert-butoxycarbonyl)-amino]propyl}-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxylate
• 英文别名: Ethyl 5-(4-methoxyphenyl)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]pyrazole-3-carboxylate
• CAS: 723339-60-4
• 化学式: C₂₁H₂₉N₃O₅
• 分子量: 403.478
• InChiKey: SAWDBVVPDGCUIL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  29
• 可旋转键数：
  11
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  91.7
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  ethyl 1-{3-[(tert-butoxycarbonyl)-amino]propyl}-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxylate 在 水 、 lithium hydroxide 、 盐酸 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 3.0h， 以82.3%的产率得到1-{3-[(tert-butoxycarbonyl)-amino]propyl}-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxylic acid
  参考文献：
  名称：

  [EN] ACYCLIC PYRAZOLE COMPOUNDS
  [FR] COMPOSES DE PYRAZOLE ACYCLIQUE POUR L'INHIBITION D'UNE PROTEINE KINASE ACTIVEE PAR MITOGENE / D'UNE PROTEINE KINASE 2 ACTIVEE

  摘要：

  公开号：

  WO2004058176A3
• 作为产物：
  描述：

  2-(4-甲氧基-苯基)-1H-咪唑-4-羧酸乙酯 、 N-Boc-3-氨基丙基溴 在 lithium tert-butoxide 、 sodium iodide 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 以63.7%的产率得到ethyl 1-{3-[(tert-butoxycarbonyl)-amino]propyl}-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxylate
  参考文献：
  名称：

  [EN] ACYCLIC PYRAZOLE COMPOUNDS
  [FR] COMPOSES DE PYRAZOLE ACYCLIQUE POUR L'INHIBITION D'UNE PROTEINE KINASE ACTIVEE PAR MITOGENE / D'UNE PROTEINE KINASE 2 ACTIVEE

  摘要：

  公开号：

  WO2004058176A3

文献信息

• Acyclic pyrazole compounds for the inhibition of mitogen activated protein kinase-activated protein kinase-2
  申请人：Pharmacia Corporation

  公开号：US20040152739A1

  公开（公告）日：2004-08-05

  Compounds are described which inhibit mitogen activated protein kinase-activated protein kinase-2 (MK-2). Methods of making such compounds are described, as well as a method of using them for the inhibition of MK-2, and for the prevention or treatment of a disease or disorder that is mediated by TNF&agr;, where the method involves administering to the subject an MK-2 inhibiting compound of the present invention. Pharmaceutical compositions and kits which contain the present MK-2 inhibiting compounds are also described.

  本文描述了一些抑制有丝分裂原活化蛋白激酶激活蛋白激酶-2（MK-2）的化合物。文中还描述了制备这些化合物的方法，以及使用它们抑制MK-2，预防或治疗由TNFα介导的疾病或障碍的方法，其中该方法涉及向受试者注射本发明的MK-2抑制化合物。文中还描述了包含本MK-2抑制化合物的制药组合物和试剂盒。
• PYRAZOLE COMPOUNDS AS PROTEIN KINASE INHIBITORS
  申请人：Hanau E. Cathleen

  公开号：US20080113971A1

  公开（公告）日：2008-05-15

  Compounds are described which inhibit mitogen activated protein kinase-activated protein kinase-2 (MK-2). Methods of making such compounds are described, as well as a method of using them for the inhibition of MK-2, and for the prevention or treatment of a disease or disorder that is mediated by TNFα, where the method involves administering to the subject an MK-2 inhibiting compound of the present invention. Pharmaceutical compositions and kits which contain the present MK-2 inhibiting compounds are also described.

  本发明描述了一种抑制有丝分裂原活化蛋白激酶激活蛋白激酶-2（MK-2）的化合物。本发明还描述了制备这种化合物的方法，以及一种使用它们来抑制MK-2并预防或治疗由TNFα介导的疾病或障碍的方法，其中该方法涉及向受试者注射本发明的MK-2抑制化合物。本发明还描述了含有本MK-2抑制化合物的药物组合物和试剂盒。
• EP1572682A4
  申请人：——

  公开号：EP1572682A4

  公开（公告）日：2008-01-23
• ACYCLIC PYRAZOLE COMPOUNDS FOR THE INHIBITION OF MITOGEN ACTIVATED PROTEIN KINASE-ACTIVATED PROTEIN KINASE-2
  申请人：Pharmacia Corporation

  公开号：EP1572682A2

  公开（公告）日：2005-09-14
• [EN] ACYCLIC PYRAZOLE COMPOUNDS FOR THE INHIBITION OF MITOGEN ACTIVATED PROTEIN KINASE-ACTIVATED PROTEIN KINASE-2<br/>[FR] COMPOSES DE PYRAZOLE ACYCLIQUE POUR L'INHIBITION D'UNE PROTEINE KINASE ACTIVEE PAR MITOGENE / D'UNE PROTEINE KINASE 2 ACTIVEE
  申请人：PHARMACIA CORP

  公开号：WO2004058176A2

  公开（公告）日：2004-07-15

  Compounds are described which inhibit mitogen activated protein kinase-activated protein kinase-2 (MK-2). Methods of making such compounds are described, as well as a method of using them for the inhibition of MK-2, and for the prevention or treatment of a disease or disorder that is mediated by TNFα, where the method involves administering to the subject an MK-2 inhibiting compound of the present invention. Pharmaceutical compositions and kits which contain the present MK-2 inhibiting compounds are also described.