1-(3-morpholinopropyl)guanidine | 46231-53-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 恶嗪烷类
• 英文名称: 1-(3-morpholinopropyl)guanidine
• 英文别名: N-(3-morpholin-4-yl-propyl)-guanidine；(3-Morpholino-propyl)-guanidin；2-(3-morpholin-4-ylpropyl)guanidine
• CAS: 46231-53-2
• 化学式: C₈H₁₈N₄O
• 分子量: 186.257
• InChiKey: UXOUIFWYBYHKQA-UHFFFAOYSA-N

物化性质

• 沸点：
  310.2±52.0 °C(Predicted)
• 密度：
  1.25±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -1.3
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  76.9
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-(Dimethylamino)-1-pyrazolo[1,5-b]pyridazin-3-ylprop-2-en-1-one 、 1-(3-morpholinopropyl)guanidine 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 N-(3-morpholinopropyl)-4-(pyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine
  参考文献：
  名称：

  Synthesis and evaluation of pyrazolo[1,5-b]pyridazines as selective cyclin dependent kinase inhibitors

  摘要：

  A novel series of pyrazolo[1,5-b]pyridazines have been synthesized and identified as cyclin dependant kinase inhibitors potentially useful for the treatment of solid tumors. Modification of the hinge-binding amine or the C(2)- and C(6)-substitutions on the pyrazolopyridazine core provided potent inhibitors of CDK4 and demonstrated enzyme selectivity against VEGFR-2 and GSK3beta.

  DOI：

  10.1016/j.bmcl.2008.09.069
• 作为产物：
  描述：

  3-(4-吗啉基)丙腈 在 镍 sodium hydroxide 、 氨 、 氢气 作用下， 以 甲醇 、 水 为溶剂， 生成 1-(3-morpholinopropyl)guanidine
  参考文献：
  名称：

  Design, synthesis and biological evaluation of 1,3-diaminopropanes: a new class of polyamine analogs as leishmanicidal agents

  摘要：

  Analogs of I,S-diaminopropane as inhibitors for the growth of Leishmania donovani have been synthesized and evaluated,for their antileishmanial activity. Of the many active compounds, 1-(3-N,N-bis methoxycarbonyl guanidino)propyl-4-methylpiperidine piperazine (4e,f) exhibited significant in vivo inhibitory efficacy against L. donovani by oral and intraperitoneal route of administration. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)00087-5

文献信息

• Disrupting the Conserved Salt Bridge in the Trimerization of Influenza A Nucleoprotein
  作者：Jennifer L. Woodring、Shao-Hung Lu、Larissa Krasnova、Shih-Chi Wang、Jhih-Bin Chen、Chiu-Chun Chou、Yi-Chou Huang、Ting-Jen Rachel Cheng、Ying-Ta Wu、Yu-Hou Chen、Jim-Min Fang、Ming-Daw Tsai、Chi-Huey Wong

  DOI：10.1021/acs.jmedchem.9b01244

  日期：2020.1.9

  threat to public health. To develop a broad-spectrum inhibitor of influenza to combat the problem of drug resistance, we previously identified the highly conserved E339...R416 salt bridge of the nucleoprotein trimer as a target and compound 1 as an inhibitor disrupting the salt bridge with an EC50 = 2.7 μM against influenza A (A/WSN/1933). We have further modified this compound via a structure-based

  流感感染中的抗病毒药物耐药性已成为对公共卫生的主要威胁。为了开发广谱的流感抑制剂来解决耐药性问题，我们之前确定了高度保守的核蛋白三聚体E339 ... R416盐桥为靶标，化合物1为通过EC50破坏盐桥的抑制剂甲型流感病毒= 2.7μM（A / WSN / 1933）。我们通过基于结构的方法进一步修饰了该化合物，并进行了抗病毒活性筛选，以鉴定化合物29和30的EC50值分别为110和120 nM，并且没有可测量的宿主细胞毒性。与临床使用的神经氨酸酶抑制剂相比，这两种化合物对耐药性A型流感病毒株和B型流感病毒显示出更好的活性，
• [EN] PYRADAZINE COMPOUNDS AS GSK-3 INHIBITORS<br/>[FR] COMPOSES DE PYRADAZINE UTILES COMME INHIBITEURS DE GSK-3
  申请人：SMITHKLINE BEECHAM CORP

  公开号：WO2004035588A1

  公开（公告）日：2004-04-29

  The present invention relates generally to inhibitors of the kinases, such as GSK3, and more particularly to fused pyradazine compounds according to formula (I) and methods of their use.

  本发明通常涉及激酶抑制剂，如GSK3，更具体地涉及根据式(I)的融合吡啶并嘧啶化合物及其使用方法。
• [EN] PYRAZOLOPARIDAZINE DERIVATIVES<br/>[FR] DERIVES DE PYRAZOLOPARIDAZINE
  申请人：SMITHKLINE BEECHAM CORP

  公开号：WO2003051886A1

  公开（公告）日：2003-06-26

  Fused pyradazine derivatives, which are useful as CDK inhibitors are described herein. The described invention also includes methods of making such fused pyradazines derivatives as well as methods of using the same in the treatment of hyperproliferative diseases.

  本文描述了作为CDK抑制剂有用的融合吡嗪衍生物。所述发明还包括制备这种融合吡嗪衍生物的方法，以及将其用于治疗增生性疾病的方法。
• Lactam compounds useful as protein kinase inhibitors
  申请人：Blackburn Christopher

  公开号：US20090105213A1

  公开（公告）日：2009-04-23

  The present invention provides novel compounds useful as inhibitors of protein kinases. The invention also provides pharmaceutical compositions comprising the compounds of the invention and methods of using the compositions in the treatment of various diseases.

  本发明提供了一种新型化合物，可用作蛋白激酶的抑制剂。本发明还提供了包括本发明化合物的药物组合物以及使用该组合物治疗各种疾病的方法。
• LACTAM COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS
  申请人：Blackburn Christopher

  公开号：US20120178739A1

  公开（公告）日：2012-07-12

  The present invention provides novel compounds useful as inhibitors of protein kinases. The invention also provides pharmaceutical compositions comprising the compounds of the invention and methods of using the compositions in the treatment of various diseases.

  本发明提供了一种新型化合物，可用作蛋白激酶抑制剂。本发明还提供了包含所述化合物的药物组合物，以及使用该组合物治疗各种疾病的方法。