3-azaniumyl-8-methoxy-4-oxo-5H-pyrimido[5,4-b]indol-2-olate | 98792-17-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯并嘧啶类
• 英文名称: 3-azaniumyl-8-methoxy-4-oxo-5H-pyrimido[5,4-b]indol-2-olate
• CAS: 98792-17-7
• 化学式: C₁₁H₁₀N₄O₃
• 分子量: 246.225
• InChiKey: ZKZGPQUQFQLYJA-UHFFFAOYSA-N

物化性质

• 熔点：
  >350 °C(Solv: N,N-dimethylformamide (68-12-2))
• 密度：
  1.535±0.06 g/cm3(Predicted)
• 溶解度：
  0.5 [ug/mL]

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  18
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  100
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  methyl N-(2-ethoxycarbonyl-5-methoxyindol-3-yl)carbamate 在 肼 作用下， 以 异丙醇 为溶剂， 反应 6.0h， 以62%的产率得到3-azaniumyl-8-methoxy-4-oxo-5H-pyrimido[5,4-b]indol-2-olate
  参考文献：
  名称：

  Synthesis and some properties of 4-oxo-3,4-dihydro- and 2,4-dioxo-1,2,3,4-tetrahydropyrimido[5,4-b]indoles

  摘要：

  DOI：

  10.1007/bf00506067

文献信息

• Beta-carboline compounds and analogues thereof as mitogen-activated protein kinase-activated protein kinase-2 inhibitors
  申请人：Anderson R. David

  公开号：US20050137220A1

  公开（公告）日：2005-06-23

  A method is described for inhibiting mitogen activated protein kinase-activated protein kinase-2 in a subject in need of such inhibition, where the method involves administering to the subject a beta-carboline MK-2 inhibiting compound, or a pharmaceutically acceptable salt thereof.

  本文描述了一种用于抑制需要这种抑制的受试者中的有丝分裂原活化蛋白激酶激活蛋白激酶-2的方法，其中该方法涉及向受试者施用一种β-喀啉MK-2抑制化合物或其药学上可接受的盐。
• SIMAKOV, S. V.;VELEZHEVA, V. S.;DVORKIN, V. V.;SUVOROV, N. N., XIMIYA GETEROTSIKL. SOEDIN., 1985, N 5, 635-639
  作者：SIMAKOV, S. V.、VELEZHEVA, V. S.、DVORKIN, V. V.、SUVOROV, N. N.

  DOI：——

  日期：——
• [EN] BETA-CARBOLINE COMPOUNDS AND ANALOGUES THEREOF AND THEIR USE AS MITOGEN-ACTIVATED PROTEIN KINASE-ACTIVATED PROTEIN KINASE-2 INHIBITORS<br/>[FR] COMPOSES DE BETA-CARBOLINE AINSI QUE LEURS ANALOGUES ET LEUR UTILISATION EN TANT QU'INHIBITEURS DE PROTEINE KINASE-2 ACTIVEE PAR PROTEINE KINASE ACTIVEE PAR DES MITOGENES
  申请人：PHARMACIA CORP

  公开号：WO2005009370A2

  公开（公告）日：2005-02-03

  Novel methods and compositions are described for inhibiting mitogen activated protein kinase-activated protein kinase-2 in a subject. The method involves administering to the subject a beta-carboline MK-2 inhibiting compound, or a pharmaceutically acceptable salt, or isomer thereof. The novel compositions are capable of inhibiting mitogen activated protein kinase-activated protein kinase-2 and analogues thereof. Pharmaceutical compositions and kits that include these compounds are also described.
• Synthesis and some properties of 4-oxo-3,4-dihydro- and 2,4-dioxo-1,2,3,4-tetrahydropyrimido[5,4-b]indoles
  作者：S. V. Simakov、V. S. Velezheva、V. V. Dvorkin、N. N. Suvarov

  DOI：10.1007/bf00506067

  日期：1985.5