1332837-31-6 ((Fosifloxuridine nafalbenamide)

CAS号:
1332837-31-6
英文名称:
Fosifloxuridine nafalbenamide
分子式:
C29H29FN3O9P
分子量:
613.527432203293
简介:
Fosifloxuridine nafalbenamide (NUC-3373) 属于嘧啶核苷酸类似物,是一种胸腺嘧啶合酶 (Thymidylate synthase) 抑制剂。Fosifloxuridine nafalbenamide 具有抗癌活性。Fosifloxuridine nafalbenamide 具有诱发宿主免疫反应和增强免疫研究的潜力。

Fosifloxuridine nafalbenamide(1332837-31-6)名称与标识符

名称

英文别名:
Fosifloxuridine nafalbenamide;DB14859;J3.616.613D;L-Alanine, N-(-2'-deoxy-2',2'-difluoro-p-1-naphthalenyl-5'-cytidylyl)-, phenylmethyl ester;fosifloxuridinum nafalbenamidum;AKOS040753337;NUC 3373;UNII-4YO6QT3SZ9;Nucleotide Analog NUC-3373;5-FU Analog Prodrug NUC-3373;EX-A4413;FOSIFLOXURIDINE NAFALBENAMIDE [WHO-DD];HY-109115;G17609;NUC-3373;Phosphoramidate-FUDR-MP Prodrug NUC-3373;CPF-373;CS-0078080;fosifloxuridina nafalbenamida;L-Alanine, N-(2'-deoxy-5-fluoro-P-1-naphthalenyl-5'-uridylyl)-, phenylmethyl ester;CHEMBL2181367;NUC3373(Fosifloxuridine nafalbenamide)?;Fosifloxuridine nafalbenamide [USAN];NUC-3073;FOSIFLOXURIDINE NAFALBENAMIDE [INN];benzyl (2S)-2-(((((2R,3S,5R)-5-(5-fluoro-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3-hydroxyoxolan-2-yl)methoxy)(naphthalen-1-yloxy)phosphoryl)amino)propanoate;benzyl N-[P-ambo-2'-deoxy-5-fluoro-P-(naphthalen-1-yl)-5'-uridyly]}-L-alaninate;4YO6QT3SZ9;benzyl (2S)-2-[({[(2R,3S,5R)-5-(5-fluoro-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy}(naphthalen-1-yloxy)phosphoryl)amino]propanoate;benzyl (2S)-2-[[[(2R,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-naphthalen-1-yloxyphosphoryl]amino]propanoate;N-(2'-Deoxy-5-fluoro-P-1-naphthalenyl-5'-uridylyl)-L-alanine phenylmethyl ester;1332837-31-6;WHO 10749;NUC3373;D12388;

标识符

InChIKey:
BIOWRMNRHMERIO-ZVAHOJSLSA-N
Inchi:
1S/C29H29FN3O9P/c1-18(28(36)39-16-19-8-3-2-4-9-19)32-43(38,42-24-13-7-11-20-10-5-6-12-21(20)24)40-17-25-23(34)14-26(41-25)33-15-22(30)27(35)31-29(33)37/h2-13,15,18,23,25-26,34H,14,16-17H2,1H3,(H,32,38)(H,31,35,37)/t18-,23-,25+,26+,43?/m0/s1
SMILES:
P(N[C@H](C(=O)OCC1C=CC=CC=1)C)(=O)(OC1=CC=CC2C=CC=CC1=2)OC[C@@H]1[C@H](C[C@H](N2C=C(C(NC2=O)=O)F)O1)O

Fosifloxuridine nafalbenamide(1332837-31-6)物化性质

计算特性

  • 精确分子量 : 613.16254467g/mol
  • 氢键供体数量 : 3
  • 氢键受体数量 : 11
  • 可旋转化学键数量 : 12
  • 同位素质量 : 613.16254467g/mol
  • 重原子数量 : 43
  • 复杂度 : 1100
  • 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 : 1
  • 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) : 3
  • 拓扑分子极性表面积 : 153

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