(E)-5-[3-(三氟乙酰氨基)-1-丙烯基]尿苷 | 869222-68-4

• 分子结构分类: 有机化合物 - 核苷、核苷酸和类似物 - 嘧啶核苷
• 中文名称: (E)-5-[3-(三氟乙酰氨基)-1-丙烯基]尿苷
• 英文名称: N-((E)-3-(1-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran2-yl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)allyl)-2,2,2-trifluoroacetamide
• 英文别名: N-((E)-3-(1-((2R,3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)allyl)-2,2,2-trifluoroacetamide；N-[(E)-3-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-enyl]-2,2,2-trifluoroacetamide
• CAS: 869222-68-4
• 化学式: C₁₄H₁₆F₃N₃O₇
• 分子量: 395.292
• InChiKey: DMXZSDJKAIYXMV-TVIFIVJDSA-N

物化性质

• 密度：
  1.682±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -1.1
• 重原子数：
  27
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  148
• 氢给体数：
  5
• 氢受体数：
  10

安全信息

• 危险性防范说明：
  P280,P305+P351+P338
• 危险性描述：
  H317,H319

反应信息

• 作为反应物：
  描述：

  (E)-5-[3-(三氟乙酰氨基)-1-丙烯基]尿苷 、 叔丁基二甲基氯硅烷 在 咪唑 作用下， 生成
  参考文献：
  名称：

  Synthesis of Pyrophosphates for In Vitro Selection of Catalytic RNA Molecules

  摘要：

  Reported here are synthetic routes to pyrophosphates linking riboflavin with various nucleosides. The focus is on a flavin-uracil dinucleotide having a biotin tag on the uracil, a molecule that has potential value in the selection of RNA enzymes that catalyze the template-directed polymerization of RNA in the 3'-to-5' direction, which is the direction opposite that catalyzed by standard protein polymerases. Two detailed procedures are presented to prepare this new compound, as well as one procedure to prepare the new flavin-2,6-diaminopurine dinucleotide.

  DOI：

  10.1080/15257770701571867
• 作为产物：
  描述：

  N-烯丙基-2,2,2-三氟乙酰胺 、 5-碘尿苷 在 sodium tetrachloropalladate 作用下， 以 acetate buffer 、 N,N-二甲基甲酰胺 为溶剂， 反应 2.0h， 生成 (E)-5-[3-(三氟乙酰氨基)-1-丙烯基]尿苷
  参考文献：
  名称：

  Synthesis of Pyrophosphates for In Vitro Selection of Catalytic RNA Molecules

  摘要：

  Reported here are synthetic routes to pyrophosphates linking riboflavin with various nucleosides. The focus is on a flavin-uracil dinucleotide having a biotin tag on the uracil, a molecule that has potential value in the selection of RNA enzymes that catalyze the template-directed polymerization of RNA in the 3'-to-5' direction, which is the direction opposite that catalyzed by standard protein polymerases. Two detailed procedures are presented to prepare this new compound, as well as one procedure to prepare the new flavin-2,6-diaminopurine dinucleotide.

  DOI：

  10.1080/15257770701571867

文献信息

• [EN] IDOXURIDINE AND ITS ANALOGS AS NEUROPROTECTANS FOR THE TREATMENT OF PARKINSONISM<br/>[FR] IDOXURIDINE ET SES ANALOGUES UTILISÉS COMME NEUROPROTECTEURS POUR LE TRAITEMENT DU PARKINSONISME
  申请人：SVENNINGSSON PER

  公开号：WO2018143893A1

  公开（公告）日：2018-08-09

  The invention relates to compounds that are useful in the treatment of parkinsonism, such as parkinsonism in connection with Parkinson's disease (PD); dementia with Lewy bodies (DLB); multiple system atrophy (MSA); corticobasal degeneration (CBD); or progressive supranuclear palsy (PSP). The said compounds include in particular idoxuridineand analogs thereofas well as their metabolic precursors, such as ropidoxuridine.The invention further relates to method for identifying compounds useful for the treatment of parkinsonism, said methods comprising detecting the capability of compound to increase the amount of GPR37 in cell membranes.The invention further relates to methods for the chemical synthesis of ropidoxuridine.

  本发明涉及一种在帕金森病（PD）相关的帕金森综合征，如帕金森病（PD）；具有Lewy小体的痴呆（DLB）；多系统萎缩（MSA）；皮质基底节变性（CBD）；或进行性核上性麻痹（PSP）等治疗中有用的化合物。所述化合物包括特别是碘沙宝嘌呤及其类似物以及它们的代谢前体，如罗匹沙宝嘌呤。本发明还涉及一种用于鉴定治疗帕金森综合征的有用化合物的方法，该方法包括检测化合物增加细胞膜中GPR37数量的能力。本发明还涉及罗匹沙宝嘌呤的化学合成方法。
• Synthesis of Pyrophosphates for In Vitro Selection of Catalytic RNA Molecules
  作者：Hyo-Joong Kim、Myong Jung Kim、Nilesh Karalkar、Daniel Hutter、Steven A. Benner

  DOI：10.1080/15257770701571867

  日期：2008.1

  Reported here are synthetic routes to pyrophosphates linking riboflavin with various nucleosides. The focus is on a flavin-uracil dinucleotide having a biotin tag on the uracil, a molecule that has potential value in the selection of RNA enzymes that catalyze the template-directed polymerization of RNA in the 3'-to-5' direction, which is the direction opposite that catalyzed by standard protein polymerases. Two detailed procedures are presented to prepare this new compound, as well as one procedure to prepare the new flavin-2,6-diaminopurine dinucleotide.