1-(1-methyl-1H-pyrazol-5-yl)guanidine | 1395078-95-1

• 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-(1-methyl-1H-pyrazol-5-yl)guanidine
• 英文别名: 2-(2-methylpyrazol-3-yl)guanidine
• CAS: 1395078-95-1
• 化学式: C₅H₉N₅
• 分子量: 139.16
• InChiKey: BWXMPEYQOTUQTD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  82.2
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  tert-butyl 4-((dimethylamino)methylene)-3-oxopiperidine-1-carboxylate 、 1-(1-methyl-1H-pyrazol-5-yl)guanidine 在 sodium ethanolate 作用下， 以 乙醇 为溶剂， 反应 18.0h， 生成 tert-butyl 2-(1-methyl-1H-pyrazol-5-ylamino)-5,6-dihydropyrido[3,4-d]pyrimidine-7(8H)-carboxylate
  参考文献：
  名称：

  Discovery of 5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine inhibitors of Erk2

  摘要：

  The discovery and optimization of a series of tetrahydropyridopyrimidine based extracellular signal-regulated kinase (Erks) inhibitors discovered via HTS and structure based drug design is reported. The compounds demonstrate potent and selective inhibition of Erk2 and knockdown of phospho-RSK levels in HepG2 cells and tumor xenografts. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2014.04.068
• 作为产物：
  描述：

  (Z)-benzyl (benzyloxycarbonylamino)(1-methyl-1H-pyrazol-5-ylamino)methylenecarbamate 在 10 wt% Pd(OH)2 on carbon 、 氢气 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 20.0 ℃ 、101.33 kPa 条件下， 反应 16.0h， 生成 1-(1-methyl-1H-pyrazol-5-yl)guanidine
  参考文献：
  名称：

  Discovery of 5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine inhibitors of Erk2

  摘要：

  The discovery and optimization of a series of tetrahydropyridopyrimidine based extracellular signal-regulated kinase (Erks) inhibitors discovered via HTS and structure based drug design is reported. The compounds demonstrate potent and selective inhibition of Erk2 and knockdown of phospho-RSK levels in HepG2 cells and tumor xenografts. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2014.04.068

文献信息

• SERINE/THREONINE KINASE INHIBITORS
  申请人：Blake James F.

  公开号：US20130338140A1

  公开（公告）日：2013-12-19

  Compounds having the formula I wherein Z, Z 1 Z 2 Z, R 3a , R 3b and R b and as defined herein are inhibitors of ERK kinase. Also disclosed are compositions and methods for treating hyperproliferative disorders.

  具有I式的化合物，在此式中Z，Z1Z2Z，R3a，R3b和R3c的定义为ERK激酶的抑制剂。还披露了治疗过度增殖性疾病的组合物和方法。
• Serine/threonine kinase inhibitors
  申请人：Blake James F.

  公开号：US09133187B2

  公开（公告）日：2015-09-15

  Compounds having the formula I wherein Z, Z1 Z2 Z3, R3a, R3b and Rb and as defined herein are inhibitors of ERK kinase. Also disclosed are compositions and methods for treating hyperproliferative disorders.

  具有I式的化合物，其中Z，Z1，Z2，Z3，R3a，R3b和Rb如本文所定义，是ERK激酶的抑制剂。还揭示了用于治疗过度增殖性疾病的组合物和方法。