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2'-氟-5-乙基-beta-D-阿拉伯呋喃基尿嘧啶 | 83546-42-3

2'-氟-5-乙基-beta-D-阿拉伯呋喃基尿嘧啶结构式图片|83546-42-3结构式图片
2'-氟-5-乙基-beta-D-阿拉伯呋喃基尿嘧啶
2'-Fluoro-5-ethylarabinosyluracil
83546-42-3
C11H15FN2O5
274.245606660843
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:2'-氟-5-乙基-beta-D-阿拉伯呋喃基尿嘧啶结构式
174316
名称和标识符
InChIKey SWFJAJRDLUUIOA-IBCQBUCCSA-N
Inchi 1S/C11H15FN2O5/c1-2-5-3-14(11(18)13-9(5)17)10-7(12)8(16)6(4-15)19-10/h3,6-8,10,15-16H,2,4H2,1H3,(H,13,17,18)/t6-,7+,8-,10-/m1/s1
SMILES F[C@H]1[C@H](O)[C@@H](CO)O[C@H]1N1C(=O)NC(=O)C(CC)=C1
别名信息
- 中文别名 -
  • 2'-氟-5-乙基-beta-D-阿拉伯呋喃基尿嘧啶
  • 2''-氟-5-乙基-beta-D-阿拉伯呋喃基尿嘧啶
  • 2-氟-5-乙基-beta-D-阿拉伯呋喃基尿嘧啶
- 英文别名 -
  • 2'-Fluoro-5-ethylarabinosyluracil
  • 2'-Fluoro-5-ethyl-beta-D-arabinofuranosyluracil
  • 5-Ethyl-1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
  • 1-(2-Deoxy-2-fluoroarabinofuranosyl)-5-ethyluracil
  • 1-Dfafeu
  • FEAU
  • 1-(2-Deoxy-2-fluoro-β-D-arabinofuranosyl)-5-ethyl-2,4(1H,3H)-pyrimidinedione (ACI)
  • 5-ethyl-1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
  • A900442
  • 1-(2-Deoxy-2-fluoro-beta-D-arabinofuranosyl)-5-ethyluracil
  • 2AGF6PBM87
  • UNII-2AGF6PBM87
  • 2'-Fluoro-5-ethyl-beta-D-arabinofuranosyluracil
  • 5-Ethyl-1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
  • 5-ethyl-1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,3,4-tetrahydropyrimidine-2,4-dione
  • BDBM50367489
  • 2,4(1H,3H)-Pyrimidinedione, 1-(2-deoxy-2-fluoro-beta-D-arabinofuranosyl)-5-ethyl
  • 2,4(1H,3H)-PYRIMIDINEDIONE, 1-(2-DEOXY-2-FLUORO-.BETA.-D-ARABINOFURANOSYL)-5-ETHYL-
  • SWFJAJRDLUUIOA-IBCQBUCCSA-N
  • CHEMBL1269499
  • F12932
  • 2'-Fluoro-5-ethyl-.beta.-D-arabinofuranosyluracil
  • 83546-42-3
  • 1-(2-DEOXY-2-FLUORO-.BETA.-D-ARABINOFURANOSYL)-5-ETHYL-2,4(1H,3H)-PYRIMIDINEDIONE
  • DTXSID30232433
  • 5-Ethyl-1-((2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyrimidine-2,4(1H,3H)-dione
  • SCHEMBL6538026
  • 5-ethyl-1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione
  • MFCD11973639
物化性质
实验特性
LogP -2.12370
PSA 124.78000
折射率 1.582
密度 1.49
计算特性
精确分子量 290.09100
氢键供体数量 3
氢键受体数量 6
可旋转化学键数量 3
同位素质量 274.096
重原子数量 19
复杂度 427
同位素原子数量 0
确定原子立构中心数量 4
不确定原子立构中心数量 0
确定化学键立构中心数量 0
不确定化学键立构中心数量 0
共价键单元数量 1
疏水参数计算参考值(XlogP) -0.5
互变异构体数量 3
表面电荷 0
拓扑分子极性表面积 99.1A^2
合成路线

合成路线:2 步

反应条件:
参考文献:
The improved syntheses of 5-substituted 2'-[18F]fluoro-2'-deoxy-arabinofuranosyl-uracil derivatives ([18F]FAU, [18F]FEAU, [18F]FFAU, [18F]FCAU, [18F]FBAU and [18F]FIAU) using a multistep one-pot strategy
Cai, Hancheng; et al, Nuclear Medicine and Biology, 2011, 38(5), 659-666

合成路线:1 步

反应条件:
参考文献:
1-(2-Deoxy-2-fluoro-β-D-arabinofuranosyl)-5-ethyluracil. A highly selective antiherpes simplex agent
Mansuri, Muzammil M.; et al, Journal of Medicinal Chemistry, 1987, 30(5), 867-71

合成路线:2 步

反应条件:
参考文献:
Antiviral nucleosides. A stereospecific, total synthesis of 2'-fluoro-2'-deoxy-β-D-arabinofuranosyl nucleosides
Howell, Henry G.; et al, Journal of Organic Chemistry, 1988, 53(1), 85-8

合成路线:2 步

反应条件:
参考文献:
1-(2-Deoxy-2-fluoro-β-D-arabinofuranosyl)-5-ethyluracil. A highly selective antiherpes simplex agent
Mansuri, Muzammil M.; et al, Journal of Medicinal Chemistry, 1987, 30(5), 867-71

合成路线:3 步

反应条件:
参考文献:
1-(2-Deoxy-2-fluoro-β-D-arabinofuranosyl)-5-ethyluracil. A highly selective antiherpes simplex agent
Mansuri, Muzammil M.; et al, Journal of Medicinal Chemistry, 1987, 30(5), 867-71

合成路线:1 步

反应条件:
参考文献:
The improved syntheses of 5-substituted 2'-[18F]fluoro-2'-deoxy-arabinofuranosyl-uracil derivatives ([18F]FAU, [18F]FEAU, [18F]FFAU, [18F]FCAU, [18F]FBAU and [18F]FIAU) using a multistep one-pot strategy
Cai, Hancheng; et al, Nuclear Medicine and Biology, 2011, 38(5), 659-666

合成路线:1 步

反应条件:
参考文献:
An improved strategy for the synthesis of [18F]-labeled arabinofuranosyl nucleosides
Zhang, Hanwen; et al, Nuclear Medicine and Biology, 2012, 39(8), 1182-1188

合成路线:3 步

反应条件:
参考文献:
The improved syntheses of 5-substituted 2'-[18F]fluoro-2'-deoxy-arabinofuranosyl-uracil derivatives ([18F]FAU, [18F]FEAU, [18F]FFAU, [18F]FCAU, [18F]FBAU and [18F]FIAU) using a multistep one-pot strategy
Cai, Hancheng; et al, Nuclear Medicine and Biology, 2011, 38(5), 659-666

合成路线:3 步

反应条件:
参考文献:
Antiviral nucleosides. A stereospecific, total synthesis of 2'-fluoro-2'-deoxy-β-D-arabinofuranosyl nucleosides
Howell, Henry G.; et al, Journal of Organic Chemistry, 1988, 53(1), 85-8

合成路线:1 步

反应条件:
参考文献:
Antiviral nucleosides. A stereospecific, total synthesis of 2'-fluoro-2'-deoxy-β-D-arabinofuranosyl nucleosides
Howell, Henry G.; et al, Journal of Organic Chemistry, 1988, 53(1), 85-8

合成路线:3 步

反应条件:
参考文献:
Antiviral nucleosides. A stereospecific, total synthesis of 2'-fluoro-2'-deoxy-β-D-arabinofuranosyl nucleosides
Howell, Henry G.; et al, Journal of Organic Chemistry, 1988, 53(1), 85-8

合成路线:1 步

参考文献:
Discovery of novel 5-(ethyl or hydroxymethyl) analogs of 2'-'up' fluoro (or hydroxyl) pyrimidine nucleosides as a new class of Mycobacterium tuberculosis, Mycobacterium bovis and Mycobacterium avium inhibitors
Shakya, Neeraj; et al, Bioorganic & Medicinal Chemistry, 2012, 20(13), 4088-4097

合成路线:2 步

反应条件:
参考文献:
1-(2-Deoxy-2-fluoro-β-D-arabinofuranosyl)-5-ethyluracil. A highly selective antiherpes simplex agent
Mansuri, Muzammil M.; et al, Journal of Medicinal Chemistry, 1987, 30(5), 867-71
专业数据库参考
PubChemId 174316
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