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1-[(3'S,4'R)-3'-O-benzoyl-2',5',6'-trideoxy-6'-(diethoxyphosphinyl)-β-hexofuranosyl]thymine | 500018-96-2

中文名称
——
中文别名
——
英文名称
1-[(3'S,4'R)-3'-O-benzoyl-2',5',6'-trideoxy-6'-(diethoxyphosphinyl)-β-hexofuranosyl]thymine
英文别名
1-[(3S,4R)-3-O-benzoyl-6-(diethoxyphosphinyl)-2,5,6-trideoxy-β-hexofuranosyl]thymine
1-[(3'S,4'R)-3'-O-benzoyl-2',5',6'-trideoxy-6'-(diethoxyphosphinyl)-β-hexofuranosyl]thymine化学式
CAS
500018-96-2
化学式
C22H29N2O8P
mdl
——
分子量
480.455
InChiKey
SAWUNBZOAXRFHV-CEXWTWQISA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

计算性质

  • 辛醇/水分配系数(LogP):
    3.01
  • 重原子数:
    33.0
  • 可旋转键数:
    10.0
  • 环数:
    3.0
  • sp3杂化的碳原子比例:
    0.5
  • 拓扑面积:
    125.92
  • 氢给体数:
    1.0
  • 氢受体数:
    9.0

上下游信息

  • 上游原料
    中文名称 英文名称 CAS号 化学式 分子量
  • 下游产品
    中文名称 英文名称 CAS号 化学式 分子量

反应信息

  • 作为反应物:
    参考文献:
    名称:
    摘要:
    Chimeric DNA molecules containing four different linking groups, the natural phosphate, 5'-methylenephosphonate. bis(methylene)phosphinate, and bis(methylene) sulfone (see Fig.1), were directly compared for their ability to form duplexes with complementary DNA and DNA chimeras. From melting temperatures for analogous complementary sequences, general conclusions about the impact of geometric distortion of the internucleotide linkage around the two P-O-C bridges were drawn, as were conclusions about the impact on duplex stability that arises from the removal of the negative charge in the linking group. Each structural perturbation diminished the melting temperature, by ca. -2.5degrees per modification for the 5'-methylenephosphonate, -3.5degrees per modification for the bis(methylene)phosphinate, and -4.5degrees per modification for the bis(methylene) sulfone linker. These results have implications for DNA chemistry including the design of 'antisense' candidates and the proposal of alternative genetic materials in the search for non-terrean life.
    DOI:
    10.1002/1522-2675(200209)85:9<2777::aid-hlca2777>3.0.co;2-1
  • 作为产物:
    参考文献:
    名称:
    摘要:
    Chimeric DNA molecules containing four different linking groups, the natural phosphate, 5'-methylenephosphonate. bis(methylene)phosphinate, and bis(methylene) sulfone (see Fig.1), were directly compared for their ability to form duplexes with complementary DNA and DNA chimeras. From melting temperatures for analogous complementary sequences, general conclusions about the impact of geometric distortion of the internucleotide linkage around the two P-O-C bridges were drawn, as were conclusions about the impact on duplex stability that arises from the removal of the negative charge in the linking group. Each structural perturbation diminished the melting temperature, by ca. -2.5degrees per modification for the 5'-methylenephosphonate, -3.5degrees per modification for the bis(methylene)phosphinate, and -4.5degrees per modification for the bis(methylene) sulfone linker. These results have implications for DNA chemistry including the design of 'antisense' candidates and the proposal of alternative genetic materials in the search for non-terrean life.
    DOI:
    10.1002/1522-2675(200209)85:9<2777::aid-hlca2777>3.0.co;2-1
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文献信息

  • Photoredox-Catalyzed Deformylative 1,4-Addition of 2′-Deoxy-5′-<i>O</i>-phthalimidonucleosides for Synthesis of 5′-Carba Analogs of Nucleoside 5′-Phosphates
    作者:Yuta Ito、Airi Kimura、Takashi Osawa、Yoshiyuki Hari
    DOI:10.1021/acs.joc.8b00637
    日期:2018.9.21
    approach for the synthesis of the 5′-carba analogs of nucleoside 5′-phosphates from 2′-deoxy-5′-O-phthalimidonucleosides by a visible-light-mediated deformylative 1,4-addition was developed. This method enabled rapid and facile generation of 4′-carbon radicals of nucleosides. Moreover, this synthetic strategy was applicable to the 5′-carba analogs of nucleoside 5′-phosphates as well as other 5′-carba nucleosides
    开发了一种简明的方法,该方法通过可见光介导的脱甲酰基1,4-加成从2'-脱氧-5' - O-邻苯二甲酰亚胺核苷合成核苷5'-磷酸的5'-carba类似物。该方法使得能够快速且容易地生成核苷的4'-碳自由基。而且,该合成策略适用于核苷5'-磷酸的5'-carba类似物以及其他带有甲氧基羰基,基和N-甲基磺酰基的5'-carba核苷。
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同类化合物

齐夫多定相关物质B 齐多夫定 黄质核苷 黄苷5'-(四氢三磷酸酯)三钠盐 黄苷3',5'-环单磷酸酯 黄苷-5'-三磷酸酯 黄嘌呤核苷 鸟苷酸 鸟苷酰-3'-5'-胞苷铵盐 鸟苷酰-(3'-5')-尿苷 鸟苷酰-(3'-5')-3'-鸟苷酸 鸟苷酰(3'-5')尿苷3'-单磷酸酯 鸟苷三磷酸锂 鸟苷5'-硫代二磷酸酯 鸟苷5'-三磷酸酯锰盐 鸟苷5'-[氢(膦酰甲基)膦酸酯]钠盐 鸟苷3'-(三氢二磷酸酯),5'-(三氢二磷酸酯) 鸟苷2’,3’-环单磷酸酯三乙胺盐 鸟苷-5’-二磷酸 鸟苷-5'-三磷酸二钠盐 鸟苷-5'-O-(2-硫代三磷酸)三锂盐 鸟苷-3,5-环单磷酸单钠盐 鸟苷-3',5'-环单硫代磷酸酯 Rp-异构体钠盐 鸟苷,N,N-二甲基-6-O-[2-(4-硝基苯基)乙基]- 鸟苷(5')四磷酰(5')鸟苷 鸟苷 5'-(四氢三磷酸酯-P''-32P) 鸟苷 5'-(四氢 5-硫代三磷酸酯) 鸟苷 2',3',5'-三苯甲酸酯 鸟苷 鸟氨酸,乙基酯(9CI) 鸟嘌呤核糖苷-3’,5’-环磷酸酯 鲁西他滨 马来酸恩替卡韦 马兜铃内酰胺A 顺式5-氟-1-[2-(羟甲基)-1,3-氧硫杂环戊-5-基]-2,4(1H,3H)-嘧啶二酮-13C,15N2 顺式5-氟-1-[2-(羟甲基)-1,3-氧硫杂环戊-5-基]-2,4(1H,3H)-嘧啶二酮 顺式-玉米素-D-核糖甙 顺-5-氟-1-[2-[[[[(((1,1-二甲基乙基)二甲基甲硅烷基]氧基]甲基]-1,3-氧杂硫杂环戊-5-基]-2,4(1H,3H)-嘧啶二酮-13C,15N2 顺-5-氟-1-[2-[[[[(((1,1-二甲基乙基)二甲基甲硅烷基]氧基]甲基]-1,3-氧杂硫杂环戊-5-基]-2,4(1H,3H)-嘧啶二酮 非阿尿苷5’-单磷酸酯 非阿尿苷 非西他滨 阿糖腺苷2',3',5'-三乙酸酯 阿糖腺苷 2',3'-二乙酸酯 阿糖腺苷 阿糖腺苷 阿糖胞苷杂质6 阿糖胞苷杂质19 阿糖胞苷杂质17 阿糖胞苷杂质13