1-tert-butoxycarbonyl-methoxycarbonyl-5-nitropyrazole | 1365558-84-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1-tert-butoxycarbonyl-methoxycarbonyl-5-nitropyrazole
• 英文别名: 1-tert-Butoxycarbonyl-3-methoxycarbonyl-5-nitropyrazole；1-O-tert-butyl 3-O-methyl 5-nitropyrazole-1,3-dicarboxylate
• CAS: 1365558-84-4
• 化学式: C₁₀H₁₃N₃O₆
• 分子量: 271.23
• InChiKey: PMWZELZYVYTJRK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  116
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  1-tert-butoxycarbonyl-methoxycarbonyl-5-nitropyrazole 在 palladium 10% on activated carbon 氢气 作用下， 生成 5-amino-1-tert-butoxycarbonyl-3-methoxycarbonylpyrazole
  参考文献：
  名称：

  [EN] 4- BROMO - 5 - (2- CHLORO - BENZOYLAMINO) - 1H - PYRAZOLE - 3 - CARBOXYLIC ACID AMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ B1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES
  [FR] DERIVES AMIDES DE L'ACIDE CARBOXYLIQUE DE 4- BROMO - 5 - (2- CHLORO - BENZOYLAMINO) - 1H - PYRAZOLE 3 ET COMPOSES ASSOCIES EN TANT QU'ANTAGONISTES DE RECEPTEUR DE B1 DE LA BRADYKININE POUR LE TRAITEMENT DE MALADIES INFLAMMATOIRES

  摘要：

  公开的是化合物I和II的结构式，它们是激肽酶B1受体拮抗剂，适用于治疗哺乳动物中由激肽酶B1受体介导的疾病，或缓解与疾病状况相关的不良症状。其中某些化合物表现出增强的效力，并且预计还将表现出延长作用的特性。

  公开号：

  WO2004098589A1
• 作为产物：
  描述：

  二碳酸二叔丁酯 、 methyl 5-nitro-1H-pyrazole-3-carboxylate 在 4-二甲氨基吡啶 三乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 1-tert-butoxycarbonyl-methoxycarbonyl-5-nitropyrazole
  参考文献：
  名称：

  [EN] 4- BROMO - 5 - (2- CHLORO - BENZOYLAMINO) - 1H - PYRAZOLE - 3 - CARBOXYLIC ACID AMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ B1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES
  [FR] DERIVES AMIDES DE L'ACIDE CARBOXYLIQUE DE 4- BROMO - 5 - (2- CHLORO - BENZOYLAMINO) - 1H - PYRAZOLE 3 ET COMPOSES ASSOCIES EN TANT QU'ANTAGONISTES DE RECEPTEUR DE B1 DE LA BRADYKININE POUR LE TRAITEMENT DE MALADIES INFLAMMATOIRES

  摘要：

  公开的是化合物I和II的结构式，它们是激肽酶B1受体拮抗剂，适用于治疗哺乳动物中由激肽酶B1受体介导的疾病，或缓解与疾病状况相关的不良症状。其中某些化合物表现出增强的效力，并且预计还将表现出延长作用的特性。

  公开号：

  WO2004098589A1

文献信息

• Substituted pyrazole derivatives and related compounds as bradykinin B1 receptor antagonists
  申请人：Tung S. Jay

  公开号：US20050020659A1

  公开（公告）日：2005-01-27

  Disclosed are compounds that are bradykinin B 1 receptor antagonists and are useful for treating diseases, or relieving adverse symptoms associated with disease conditions, in mammals mediated by bradykinin B 1 receptor. Certain of the compounds exhibit increased potency and are also expected to exhibit increased duration of action.

  本发明公开了一种布雷肯肽B1受体拮抗剂化合物，可用于治疗哺乳动物中由布雷肯肽B1受体介导的疾病或缓解与疾病状况相关的不良症状。其中某些化合物表现出增强的效力，并且预计也会表现出增强的作用持续时间。
• Selected substituted pyrazole derivatives and related compounds as bradykinin B1 receptor antagonists
  申请人：Garofalo W. Albert

  公开号：US20050032868A1

  公开（公告）日：2005-02-10

  Disclosed are compounds that are bradykinin B 1 receptor antagonists and are useful for treating diseases, or relieving adverse symptoms associated with disease conditions, in mammals mediated by bradykinin B 1 receptor. Certain of the compounds exhibit increased potency and are also expected to exhibit increased duration of action.

  本发明涉及一种用于治疗哺乳动物中由于缓激肽B1受体介导的疾病或缓解与疾病状态相关的不良症状的缓激肽B1受体拮抗剂化合物。其中某些化合物表现出增强的效力，并且预计还会表现出增强的作用持续时间。
• 4-Bromo-5-(2-chloro-benzoylamino)-1h-pyrazole-3-carboxylic acid (phenyl) amide derivatives and related compounds as bradykinin b1 receptor antagonists for the treatment of inflammatory diseases
  申请人：Garofalo W. Albert

  公开号：US20070123531A1

  公开（公告）日：2007-05-31

  Disclosed are compounds that are bradykinin B1 receptor antagonists and are useful for treating diseases, or relieving adverse symptoms associated with disease conditions, in mammals mediated by bradykinin B1 receptor. Certain of the compounds exhibit increased potency and are also expected to exhibit increased duration of action.

  本发明涉及一种可以用于治疗哺乳动物中由于Bradykinin B1受体介导的疾病或缓解与疾病状态相关的不良症状的化合物，这些化合物是Bradykinin B1受体拮抗剂。其中某些化合物表现出增强的效力，并且预计还将表现出增加的作用持续时间。
• 4-Bromo-5-(2-chloro-benzoylamino)-1h-pyrazole-3-carvoxylic acid amide derivatives and related compounds as bradykinin b1 receptor antagonists for the treatment of inflammatory diseases
  申请人：Tung S. Jay

  公开号：US20060281733A1

  公开（公告）日：2006-12-14

  Disclosed are compounds of formula I and II that are bradykinin B 1 receptor antagonists and are useful for treating diseases, or relieving adverse symptoms associated with disease conditions, in mammals mediated by bradykinin B 1 receptor. Certain of the compounds exhibit increased potency and are also expected to exhibit increased duration of action.

  本发明公开了式I和式II的化合物，它们是缓激肽B1受体拮抗剂，可用于治疗哺乳动物中由缓激肽B1受体介导的疾病，或缓解与疾病条件相关的不良症状。其中某些化合物表现出增强的效力，预计也会表现出增强的持续时间。
• 4-Bromo-5-(2-chloro-benzoylamino)-1h-pyrazole-3-carboxylic acid (1-aminocarbonyl)eth-1-yl) amide derivatives and related compounds as bradykinin b1 receptor antagonists for the treatment of inflammatory diseases
  申请人：Tung S. Jay

  公开号：US20070161633A1

  公开（公告）日：2007-07-12

  Disclosed are compounds of formulae (I) and (II) that are bradykinin B 1 receptor antagonists and are useful for treating diseases, or relieving adverse symptoms associated with disease conditions, in mammals mediated by bradykinin B 1 receptor. Certain of the compounds exhibit increased potency and are also expected to exhibit increased duration of action. Wherein Z is selected from O, S and NH; Q of formula (III) and the other substituents are as defined in claim 1.

  本发明涉及式(I)和(II)的化合物，它们是布雷地奎宁B1受体拮抗剂，可用于治疗哺乳动物中由布雷地奎宁B1受体介导的疾病或缓解与疾病状况相关的不良症状。其中Z从O、S和NH中选择；公式(III)中的Q和其他取代基如权利要求1所定义。其中某些化合物表现出增强的效力，并且预计还会表现出延长作用时间。