CAS: 253340-48-6; 2-Amino-6-(Hydroxymethyl)Pyrimidin-4(1H)-One

该化合物是含有氨基氨基组和氢氧甲基替代成分的微米碘衍生物,该化合物具有含有2个氮原子的六人芳香热循环环,位于1号阵地和3号阵地.第2号阵地的氨基组有助于其基本性,而第6号阵地的氢氧甲基组则增强了其在极地溶剂中的溶性.该化合物因其潜在的生物活动,包括核酸新陈代谢和酶抑制作用,对医药化学和生物化学具有兴趣,其结构特征可能允许与生物目标发生相互作用,从而成为对药物开发进行进一步研究的候选条件.此外,该化合物的稳定性和再活性可能受到现有功能组的影响,这可能影响其合成和在各种化学过程中的应用.

英文名称2-Amino-6-(Hydroxymethyl)Pyrimidin-4(1H)-One
中文名称2-氨基-6-(羟甲基)嘧啶-4(3H)-酮
IUPAC名称2-Amino-6-(hydroxymethyl)pyrimidin-4(1H)-one
其它别名4(1H)-Pyrimidinone, 2-Amino-6-(Hydroxymethyl)- (9Ci); 2-Amino-6-(Hydroxymethyl)-4[1H]-Pyrimidinone; 4(1H)-Pyrimidinone, 2-Amino-6-(Hydroxymethyl)-; 2-Amino-6-(Hydroxymethyl)-1,4-Dihydropyrimidin-4-One; 2-Amino-6-(Hydroxymethyl)Pyrimidin-4(1H)-One; 2-Amino-6-Hydroxymethyl-3H-Pyrimidin-4-One; 2-Amino-6-(Hydroxymethyl)-1H-Pyrimidin-4-One; 4(3H)-Pyrimidinone, 2-Amino-6-(Hydroxymethyl)-
CAS编号253340-48-6
MFCD编号:MFCD11977676
分子式:C5H7N3O2
分子量:141.13
产品CID: 1213124
产品分类有机原料→分子砌块→芳杂环类化合物→嘧啶类化合物

相似结构搜索
InChIKey: IPINWIPSUBSTMZ-UHFFFAOYSA-N
InChI=1S/C5H7N3O2/c6-5-7-3(2-9)1-4(10)8-5/h1,9H,2H2,(H3,6,7,8,10)…
计算化学: 氢键受体数4.0氢键供体数3可旋转键数1

MSDS等安全信息

合成工艺路线路线简述

4-氯乙酰乙酸甲酯,盐酸胍在 Potassium Tert-Butylate体系中,用甲醇作为反应溶剂,以46%的收率获得2-Amino-6-(Hydroxymethyl)Pyrimidin-4(1H)-One
参考文献:The Effect Of Pka On Pyrimidine/Pyridine-Derived Histamine H4 Ligands
标题:The Effect Of Pka On Pyrimidine/Pyridine-Derived Histamine H4 Ligands
摘要:During The Course Of Our Efforts Toward The Discovery Of Human Histamine H-4 Antagonists From A Series Of 2-Aminiopyrimidines,It Was Noted That A 6-Trifluoromethyl Group Dramatically Reduced Affinity Of The Series Toward The Histamine H-4 Receptor. This Observation Was Further Investigated By Synthesizing A Series Of Ligands That Varied In Pk(A) Of The Pyrimidine Derived H-4 Ligands By Over Five Orders Of Magnitude And The Effect On Histamine H-4 Affinity. This Trend Was Then Extended To The Discovery Of C-Linked Piperidinyl-2-Amino Pyridines As Histamine H-4 Receptor Antagonists. (C) 2014 Elsevier Ltd. All Rights Reserved.
Doi:10.1016/J.Bmcl.2014.10.013