[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]acetic acid | 1214924-50-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: [2-(4-methylpiperazin-1-yl)-5-nitrophenyl]acetic acid
• 英文别名: 2-[2-(4-Methylpiperazin-1-yl)-5-nitrophenyl]acetic acid
• CAS: 1214924-50-1
• 化学式: C₁₃H₁₇N₃O₄
• 分子量: 279.296
• InChiKey: ZCYCICXDGPDICX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.1
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  89.6
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  [2-(4-methylpiperazin-1-yl)-5-nitrophenyl]acetic acid 在 硫酸 、 palladium on activated charcoal 、 氢气 、 三氟乙酸 作用下， 以 甲醇 、 仲丁醇 为溶剂， 反应 34.0h， 生成 [5-[6-(2,6-dimethylphenyl)-8-(3-hydroxy-propyl)-7-oxo-5,6,7,8-tetrahydro-pyrimido[4,5-d]pyrimidin-2-ylamino]-2-(4-methylpiperazin-1-yl)phenyl]acetic acid methyl ester
  参考文献：
  名称：

  [EN] PYRIMIDOPYRIMIDONE COMPOUNDS AND METHODS OF USE THEREOF
  [FR] COMPOSÉS DE PYRIMIDOPYRIMIDONE ET LEURS MÉTHODES D'UTILISATION

  摘要：

  Provided are, inter alia, compounds having a structure of Formula (I)-(VL), pharmaceutical compositions including the same, and methods of use. In one aspect, compounds are provided that can inhibit salt-inducible kinases (SIK) and methods of treating a disease or disorder using the compounds. Further provided is a method of producing compounds of Formula (I) or (II).

  公开号：

  WO2023225097A1
• 作为产物：
  描述：

  N-甲基哌嗪 、 2-氟-5-硝基苯乙酸 在 potassium carbonate 作用下， 以 乙腈 为溶剂， 生成 [2-(4-methylpiperazin-1-yl)-5-nitrophenyl]acetic acid
  参考文献：
  名称：

  [EN] PYRIMIDOPYRIMIDONE COMPOUNDS AND METHODS OF USE THEREOF
  [FR] COMPOSÉS DE PYRIMIDOPYRIMIDONE ET LEURS MÉTHODES D'UTILISATION

  摘要：

  Provided are, inter alia, compounds having a structure of Formula (I)-(VL), pharmaceutical compositions including the same, and methods of use. In one aspect, compounds are provided that can inhibit salt-inducible kinases (SIK) and methods of treating a disease or disorder using the compounds. Further provided is a method of producing compounds of Formula (I) or (II).

  公开号：

  WO2023225097A1

文献信息

• MACROCYCLICS PYRIMIDINES AS AURORA KINASE INHIBITORS
  申请人：Yu Henry

  公开号：US20110294801A1

  公开（公告）日：2011-12-01

  Macrocyclic derivative compounds that inhibit protein kinase enzymes are disclosed along with pharmaceutical compositions comprising these compounds and methods for synthesizing the same. Such compounds have utility in the treatment of proliferative diseases resulting from unregulated and/or disturbed kinase activity such as cancers, psoriasis, viral and bacterial infections, inflammatory and autoimmune diseases.

  公开了抑制蛋白激酶酶的大环衍生物化合物，以及包括这些化合物的药物组合物和合成方法。这些化合物在治疗由于未受调控和/或受干扰的激酶活性导致的增殖性疾病方面具有用途，如癌症、银屑病、病毒和细菌感染、炎症和自身免疫疾病。
• US8815872B2
  申请人：——

  公开号：US8815872B2

  公开（公告）日：2014-08-26
• [EN] MACROCYCLICS PYRIMIDINES AS AURORA KINASE INHIBITORS<br/>[FR] PYRIMIDINES MACROCYCLIQUES EN TANT QU'INHIBITEURS D'AURORA KINASE
  申请人：MERCK SERONO SA

  公开号：WO2010028116A1

  公开（公告）日：2010-03-11

  Macrocyclic derivative compounds that inhibit protein kinase enzymes are disclosed along with pharmaceutical compositions comprising these compounds and methods for synthesizing the same. Such compounds have utility in the treatment of proliferative diseases resulting from unregulated and/or disturbed kinase activity such as cancers, psoriasis, viral and bacterial infections, inflammatory and autoimmune diseases.