非西他滨

• 常用名: 非西他滨
• 英文名: Fiacitabine
• CAS号: 69123-90-6
• 分子量: 371.104
• 密度: 2.4±0.1 g/cm3
• 沸点: 524.6±60.0 °C at 760 mmHg
• 分子式: C₉H₁₁FIN₃O₄
• 熔点: N/A
• 闪点: 271.1±32.9 °C

非西他滨用途

Fiacitabine(NSC 382097; FIAC; FOAC)是选择性HSV DNA复制抑制剂，对HSV1和HSV2的IC50分别为2.5 nM和12.6 nM。

非西他滨名称

• 中文名: 非西他滨
• 英文名: 4-amino-1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodopyrimidin-2-one
• 中文别名: 4-氨基-1-[(2R,3S,4R,5R)-3-氟-4-羟基-5-(羟甲基)氧杂环戊-2-基]-5-碘嘧啶-2-酮 | 4-氨基-1-(2-脱氧-2-氟-β-D-阿糖胞苷)-5-碘-2(1H)-嘧啶酮

非西他滨生物活性

• 描述: Fiacitabine(NSC 382097; FIAC; FOAC)是选择性HSV DNA复制抑制剂,对HSV1和HSV2的IC50分别为2.5 nM和12.6 nM。
• 相关类别:
  信号通路 >> 抗感染 >> HSV
  研究领域 >> 感染
• 参考文献:

  [1]. Allaudeen HS, et al. Selective inhibition of DNA replication in herpes simplex virus infected cells by 1-(2'-deoxy-2'-fluoro-beta-D-arabinofuranosyl)-5-iodocytosine. J Biol Chem. 1982 Oct 25;257(20):11879-82.

  [2]. Lopez C, et al. 2'-fluoro-5-iodo-aracytosine, a potent and selective anti-herpesvirus agent. Antimicrob Agents Chemother. 1980 May;17(5):803-6.

非西他滨物理化学性质

• 密度: 2.4±0.1 g/cm3
• 沸点: 524.6±60.0 °C at 760 mmHg
• 分子式: C₉H₁₁FIN₃O₄
• 分子量: 371.104
• 闪点: 271.1±32.9 °C
• 精确质量: 370.977814
• PSA: 110.60000
• LogP: -0.27
• InChIKey: GIMSJJHKKXRFGV-BYPJNBLXSA-N
• SMILES: Nc1nc(=O)n(C2OC(CO)C(O)C2F)cc1I
• 蒸汽压: 0.0±3.1 mmHg at 25°C
• 折射率: 1.791
• 储存条件: 2-8℃
• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:3

  3.氢键受体数量:5

  4.可旋转化学键数量:2

  5.互变异构体数量:3

  6.拓扑分子极性表面积:108

  7.重原子数量:18

  8.表面电荷:0

  9.复杂度:430

  10.同位素原子数量:0

  11.确定原子立构中心数量:4

  12.不确定原子立构中心数量:0

  13.确定化学键立构中心数量:0

  14.不确定化学键立构中心数量:0

  15.共价键单元数量:1

非西他滨毒性和生态

非西他滨靶点实验

查看更多实验

实验名称：Primary qHTS assay for inhibitors of alpha-synuclein gene (SNCA) expression 来源：NCGC External Id：SNCA-p-activity-luciferase

实验名称：Cytochrome P450 Family 1 Subfamily A Member 2 (CYP1A2) small molecule antagonists: lu... 来源：824 External Id：CYP273

实验名称：p53 small molecule agonists, cell-based qHTS assay: qHTS cell viability counter scree... 来源：824 靶标：N/A External Id：P53600

实验名称：p53 small molecule agonists, cell-based qHTS assay with rat liver microsomes: qHTS ce... 来源：824 靶标：N/A External Id：P53MS958

实验名称：p53 small molecule agonists, cell-based qHTS assay with rat liver microsomes: Summary 来源：824 External Id：P53MS482

实验名称：p53 small molecule agonists, cell-based qHTS assay 来源：824 External Id：P53344

实验名称：p53 small molecule agonists, cell-based qHTS assay with human liver microsomes 来源：824 靶标：tumor suppressor p53 [Homo sapiens] External Id：P53MS233

实验名称：p53 small molecule agonists, cell-based qHTS assay with human liver microsomes: qHTS ... 来源：824 靶标：N/A External Id：P53MS837

实验名称：p53 small molecule agonists, cell-based qHTS assay with rat liver microsomes 来源：824 靶标：tumor suppressor p53 [Homo sapiens] External Id：P53MS898

实验名称：Primary qHTS to identify gynecologic anti-cancer compounds using libraries of approve... 来源：NCGC 靶标：N/A External Id：OBG420

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非西他滨英文别名

• 1-(2-Deoxy-2-fluoro-b-D-arabinofuranosyl)-5-iodocytosine
• 2'-Fluoro-5-iodo-1-b-D-arabinofuranosylcytosine
• 4-Amino-1-(2-deoxy-2-fluoro-b-D-arabinofuranosyl)-5-iodo-2(1H)-pyrimidinone
• FIAC
• 2'-Fluoro-5-iodo-aracytosine
• 2'-fluoro-5-iodoarabinosylcytosine
• Fluorviodoaracytidine
• DRG-0077
• 4-Amino-1-(2-deoxy-2-fluoro-β-D-arabinofuranosyl)-5-iodo-2(1H)-pyrimidinone
• 4-Amino-1-(2-deoxy-2-fluor-β-D-arabinofuranosyl)-5-iodpyrimidin-2(1H)-on
• 4-Amino-1-(2-deoxy-2-fluoro-β-D-arabinofuranosyl)-5-iodopyrimidin-2(1H)-one
• Fluoroiodoaracytidine
• Fiacitabine