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7-Deaza-2'-C-ethynyladenosine

中文名称
——
中文别名
——
英文名称
7-Deaza-2'-C-ethynyladenosine
英文别名
(2R,4S,5R)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3-ethynyl-5-(hydroxymethyl)oxolane-3,4-diol
7-Deaza-2'-C-ethynyladenosine化学式
CAS
——
化学式
C13H14N4O4
mdl
——
分子量
290.27
InChiKey
NKRAIOQPSBRMOV-PBEJQYHQSA-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):
    -1.4
  • 重原子数:
    21
  • 可旋转键数:
    3
  • 环数:
    3.0
  • sp3杂化的碳原子比例:
    0.38
  • 拓扑面积:
    127
  • 氢给体数:
    4
  • 氢受体数:
    7

文献信息

  • [EN] ALKYNE CONTAINING NUCLEOTIDE AND NUCLEOSIDE THERAPEUTIC COMPOSITIONS AND USES RELATED THERETO<br/>[FR] COMPOSITIONS THÉRAPEUTIQUES À BASE DE NUCLÉOTIDES ET NUCLÉOSIDES CONTENANT UN ALCYNE ET UTILISATIONS ASSOCIÉES
    申请人:UNIV EMORY
    公开号:WO2017189978A1
    公开(公告)日:2017-11-02
    This disclosure relates to nucleotide and nucleoside therapeutic compositions and uses in treating infectious diseases, viral infections, and cancer, where the base of the nucleotide or nucleoside contains at least one thiol, thione or thioether.
    这份披露涉及到核苷酸和核苷类治疗组合物,用于治疗传染病、病毒感染和癌症,其中核苷酸或核苷的碱基至少含有一个硫醇、硫酮或硫醚。
  • Bridged-Cyclo-ProTides as Prodrugs of Therapeutic Nucleosides and Nucleotides
    申请人:Zhong Minghong
    公开号:US20150266918A1
    公开(公告)日:2015-09-24
    Provided herein are bridged cyclic phosphates and phosphoramidates (bc-ProTides) of nucleosides, which is a compound, its stereoisomers, isotope-enriched analogues, pharmaceutically acceptable salts, hydrates, solvates, or crystalline or polymorphic forms thereof, with the following structure: These compounds can be used for the treatment of viral infections and/or neoplastic diseases in mammals. By optimizing combinations of Y 2 , Y 3 , R 0 , and M, the cleavability of these compounds as prodrugs can be attuned for different tissue targeting with various functional combinations. Also disclosed are processes and methods for preparation of these compounds.
    本文提供了核苷的桥接环磷酸酯和磷酰胺酯(bc-ProTides),这是一种化合物,包括其立体异构体、同位素富集类似物、药用可接受盐、水合物、溶剂合物,或其结晶或多形式,具有以下结构: 这些化合物可用于治疗哺乳动物的病毒感染和/或肿瘤性疾病。通过优化Y 2 、Y 3 、R 0 和M的组合,这些化合物作为前药的可裂性可以调节以适应不同组织靶向和各种功能组合。还公开了制备这些化合物的过程和方法。
  • Alkyne containing nucleotide and nucleoside therapeutic compositions and uses related thereto
    申请人:Emory University
    公开号:US11192914B2
    公开(公告)日:2021-12-07
    This disclosure relates to nucleotide and nucleoside therapeutic compositions and uses in treating infectious diseases, viral infections, and cancer, where the nucleotide or nucleoside is defined by Formula I below,
    本公开涉及核苷酸和核苷类治疗组合物以及在治疗传染性疾病、病毒感染和癌症中的用途,其中核苷酸或核苷类由下式 I 所定义、
  • ALKYNE CONTAINING NUCLEOTIDE AND NUCLEOSIDE THERAPEUTIC COMPOSITIONS AND USES RELATED THERETO
    申请人:Emory University
    公开号:US20190144484A1
    公开(公告)日:2019-05-16
    This disclosure relates to nucleotide and nucleoside therapeutic compositions and uses in treating infectious diseases, viral infections, and cancer, where the base of the nucleotide or nucleoside contains at least one thiol, thione or thioether.
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同类化合物

羧鸟苷霉素 硫代桑吉瓦霉素 桑霉素 核苷Q 杀结核菌素5'-三磷酸酯 杀结核菌素-5'-二磷酸酯 杀结核菌素 木糖基杀结核菌素 N4-环丙基-7-(2-C-甲基-beta-D-呋喃核糖基)-7H-吡咯并[2,3-d]嘧啶-2,4-二胺 7-脱氮-2'-C-乙炔腺苷 7-去氮杂肌苷 7-去氮-AMP 7-{5-O-[二甲基(2-甲基-2-丙基)硅烷基]-2,3-O-异亚丙基-beta-D-来苏呋喃糖基}-4-甲氧基-7H-吡咯并[2,3-d]嘧啶-2-胺 7-beta-D-阿拉伯呋喃糖基-7H-吡咯并[2,3-d]嘧啶-4-胺 7-[3,5-二-O-[(2,4-二氯苯基)甲基]-2-C-甲基-beta-D-呋喃核糖基]-4-氯-7H-吡咯并[2,3-d]嘧啶-2-胺 7-[3,5-二-O-[(2,4-二氯苯基)甲基]-2-C-甲基-beta-D-呋喃核糖基]-4-氯-7H-吡咯并[2,3-d]嘧啶 7-[3,5-二-O-[(2,4-二氯苯基)甲基]-2-C-甲基-beta-D-呋喃核糖基]-4-氯-5-甲基-7H-吡咯并[2,3-d]嘧啶 7-(beta-D-来苏呋喃糖基)-4-甲氧基-7H-吡咯并[2,3-d]嘧啶-2-胺 7-(2-C-甲基-beta-D-呋喃核糖基)-7H-吡咯并[2,3-d]嘧啶-4-胺 6-氯-9-(beta-D-呋喃核糖基)-7-脱氮嘌呤 5-碘代杀结核菌素 5-碘-7-(2-C-甲基-beta-D-呋喃核糖基)-7H-吡咯并[2,3-d]嘧啶-4-胺 5-甲基-7-(2-C-甲基-beta-D-呋喃核糖基)-7H-吡咯并[2,3-d]嘧啶-4-胺 5-溴杀结核菌素 5-氯杀结核菌素 4-氯-7-{5-O-[二甲基(2-甲基-2-丙基)硅烷基]-2,3-O-异亚丙基-beta-D-来苏呋喃糖基}-7H-吡咯并[2,3-d]嘧啶-2-胺 4-氯-7-(2-C-甲基-beta-D-呋喃核糖基)-7H-吡咯并[2,3-d]嘧啶-2-胺 4-氯-7-(2-C-甲基-beta-D-呋喃核糖基)-7H-吡咯并[2,3-d]嘧啶 4-氯-7-(2-C-乙炔基-beta-D-呋喃核糖基)-7H-吡咯并[2,3-d]嘧啶 4-氯-5-甲基-7-(2-C-甲基-beta-D-呋喃核糖基)-7H-吡咯并[2,3-d]嘧啶 4-氨基-7-beta-D-呋喃核糖基-7H-吡咯并[2,3-d]嘧啶-5-甲醇 4-氨基-7-(2-C-甲基-beta-D-呋喃核糖基)-7H-吡咯并[2,3-d]嘧啶-5-甲腈 4-氨基-6-氯-7-[3,4-二羟基-5-(羟基甲基)四氢呋喃-2-基]吡咯并[5,4-d]嘧啶-5-甲酰胺 4-氨基-5-氰基-7-(beta-d-呋喃核糖)吡咯并[2,3-d]嘧啶 4-(甲基硫烷基)-7-(5-O-磷羧基五呋喃糖基)-7H-吡咯并[2,3-d]嘧啶 3-氨基脱氮腺苷二氯铂(II) 2-氨基-7-[(2R,3R,4S,5R)-3,4-二羟基-5-(羟基甲基)四氢呋喃-2-基]-4-氧代-1H-吡咯并[4,5-e]嘧啶-5-甲脒 2-氨基-1,7-二氢-7-beta-D-呋喃核糖基-4H-吡咯并[2,3-d]嘧啶-4-酮 (S)-4-氨基-6-溴-7-((3R,4S,5R)-3,4-二羟基-5-羟基甲基-四氢-呋喃-2-基)-7,7alpha-二氢-4aH-吡咯并[2,3-d]嘧啶-5-甲腈 ((3AR,4R,6R,6AR)-6-(4-氯-7H-吡咯并[2,3-D]嘧啶-7-基)-2,2-二甲基四氢呋喃并[3,4-D][1,3]二氧杂卓-4-基)甲醇 4-amino-7-(4-C-methyl-β-D-ribofuranosyl)-5-(thiophen-2-yl)-7H-pyrrolo[2,3-d]pyrimidine [(R)-(4-chlorophenyl)-[(2S,3S,4R,5R)-5-[4-(3,3-diethoxypropylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-dihydroxytetrahydrofuran-2-yl]methyl] 4-phenylbenzoate 5-(4-amino-7-((2R,3R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyltetrahydrofuran-2-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl)thiophene-2-carboxylic acid 4-amino-5-iodo-7-(4-C-methyl-β-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidine (S)-[(3aR,4R,6R,6aR)-4-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-(4-chlorophenyl)methanol (R)-[(3aR,4R,6R,6aR)-4-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-(4-chlorophenyl)methanol 7-β-D-arabinofuranosyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine 5'-phosphate 4-chloro-5-cyano-7-[(2,3,5-tri-O-benzoyl)-β-D-ribofuranosyl]-7H-pyrrolo[2,3-d]pyrimidine 3,7-dihydro-5-(prop-1-ynyl)-7-(β-D-ribofuranosyl)-4H-pyrrolo[2,3-d]pyrimidin-4-one 5-propyn-1-yl-7-(β-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine