5,6-Dimethyl-1-(2,3,5-tri-O-benzoyl-β-D-ribofuranosyl)-2,4(1H,3H)-pyrimidinedione | 25691-82-1

• 分子结构分类: 有机化合物 - 核苷、核苷酸和类似物 - 嘧啶核苷
• 英文名称: 5,6-Dimethyl-1-(2,3,5-tri-O-benzoyl-β-D-ribofuranosyl)-2,4(1H,3H)-pyrimidinedione
• 英文别名: O^2'_,O3'_,O5'-tribenzoyl-5,6-dimethyl-uridine；1-(2,3,5-Tri-O-benzoyl-β-D-ribofuranosyl)-5,6-dimethyl-1,2,3,4-tetrahydropyrimidin-2,4-dion；2',3',5'-Tri-O-benzoyl-5,6-dimethyl-uridin；[(2R,3R,4R,5R)-3,4-dibenzoyloxy-5-(5,6-dimethyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl benzoate
• CAS: 25691-82-1
• 化学式: C₃₂H₂₈N₂O₉
• 分子量: 584.582
• InChiKey: FJBBKDMBNIBPOW-IYUNARRTSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  43
• 可旋转键数：
  11
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  138
• 氢给体数：
  1
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  1-乙酰氧基-2,3,5-三苯甲酰氧基-1-beta-D-呋喃核糖 、 5,6-dimethyl-2,4-bis-O-(trimethylsilyl)uracil 在 三氟甲磺酸三甲基硅酯 作用下， 以 1,2-二氯乙烷 为溶剂， 反应 3.0h， 以8.6%的产率得到5,6-Dimethyl-3-(2,3,5-tri-O-benzoyl-β-D-ribofuranosyl)-2,4(1H,3H)-pyrimidinedione
  参考文献：
  名称：

  Vorbrueggen, Helmut; Krolikiewicz, Konrad; Bennua, Baerbel, Chemische Berichte, 1981, vol. 114, # 4, p. 1234 - 1255

  摘要：

  DOI：

文献信息

• OLIGONUCLEOTIDE HAVING NON-NATURAL NUCLEOTIDE AT 5'-TERMINAL THEREOF
  申请人：Kyowa Hakko Kirin Co., Ltd.

  公开号：US20170354673A1

  公开（公告）日：2017-12-14

  An oligonucleotide having a nucleotide residue or a nucleoside residue represented by formula (I) wherein X 1 is an oxygen atom or the like, R 1 is formula (IIA) (wherein R 5A is halogen or the like, and R 6A is a hydrogen atom or the like), formula (IVA) (wherein Y 3A is a nitrogen atom or the like, and Y 4A is CH or the like), or the like, R 2 is a hydrogen atom, hydroxy, halogen, or optionally substituted lower alkoxy, and R 3 is a hydrogen atom or the like, or formula (VI) (wherein n2 is 1, 2 or 3)} at the 5′ end thereof, wherein the nucleotide residue or the nucleoside residue binds to an adjacent nucleotide residue through the oxygen atom at position 3, is provided.

  具有由式(I)表示的核苷酸残基或核苷酸残基的寡核苷酸其中X1是氧原子或类似物，R1是式(IIA)（其中R5A是卤素或类似物，而R6A是氢原子或类似物），式(IVA)（其中Y3A是氮原子或类似物，而Y4A是CH或类似物），或类似物，R2是氢原子，羟基，卤素，或可选择地取代的较低烷氧基，而R3是氢原子或类似物，或式(VI)（其中n2为1、2或3）}在其5'端，其中核苷酸残基或核苷酸残基通过位于位置3的氧原子与相邻核苷酸残基结合。
• OLIGONUCLEOTIDE
  申请人：Kyowa Hakko Kirin Co., Ltd.

  公开号：EP2891717A1

  公开（公告）日：2015-07-08

  The present invention provides an oligonucleotide having improved affinity for AG02, and the like. The oligonucleotide has a nucleotide residue or a nucleoside residue represented by formula (I) wherein X1 is an oxygen atom or the like, R1 is formula (IIA) (wherein R5A is halogen or the like, and R6A is a hydrogen atom or the like) or formula (IVA) (wherein Y3A is a nitrogen atom or the like, and Y4A is CH or the like), or the like, R2 is a hydrogen atom, hydroxy, halogen, or optionally substituted lower alkoxy, and R3 is a hydrogen atom or the like} at the 5' end thereof, and the nucleotide residue or the nucleoside residue binds to an adjacent nucleotide residue through the oxygen atom at position 3.

  本发明提供了一种对 AG02 等具有更好亲和力的寡核苷酸。该寡核苷酸具有由式（I）代表的核苷酸残基或核苷残基其中 X1 是氧原子或类似物，R1 是式（IIA）（其中 R5A 是卤素或类似物，R6A 是氢原子或类似物）或式（IVA）（其中 Y3A 是氮原子或类似物、或类似物），R2 是氢原子、羟基、卤素或任选取代的低级烷氧基，R3 是氢原子或类似物}在其 5'端，核苷酸残基或核苷酸残基通过位置 3 的氧原子与相邻的核苷酸残基结合。
• Oligonucleotide having non-natural nucleotide at 5′-terminal thereof
  申请人：Kyowa Hakko Kirin Co., Ltd.

  公开号：US10342819B2

  公开（公告）日：2019-07-09

  An oligonucleotide having a nucleotide residue or a nucleoside residue represented by formula (I) wherein X1 is an oxygen atom or the like, R1 is formula (IIA) (wherein R5A is halogen or the like, and R6A is a hydrogen atom or the like), formula (IVA) (wherein Y3A is a nitrogen atom or the like, and Y4A is CH or the like), or the like, R2 is a hydrogen atom, hydroxy, halogen, or optionally substituted lower alkoxy, and R3 is a hydrogen atom or the like, or formula (VI) (wherein n2 is 1, 2 or 3)} at the 5′ end thereof, wherein the nucleotide residue or the nucleoside residue binds to an adjacent nucleotide residue through the oxygen atom at position 3, is provided.

  具有由式(I)代表的核苷酸残基或核苷残基的寡核苷酸其中X1是氧原子或类似物，R1是式(IIA)（其中R5A是卤素或类似物，R6A是氢原子或类似物），式(IVA)（其中Y3A是氮原子或类似物，Y4A是CH或类似物），或类似物、R2是氢原子、羟基、卤素或任选取代的低级烷氧基，R3是氢原子或类似物，或式（VI）（其中n2是1、2或3）}在其5′端，其中核苷酸残基或核苷残基通过位置3的氧原子与相邻的核苷酸残基结合。
• OLIGONUCLEOTIDE HAVING A NON-NATURAL NUCLEOTIDE AT THE 5'-TERMINAL
  申请人：Kyowa Kirin Co., Ltd.

  公开号：EP3130597B1

  公开（公告）日：2021-11-10
• US4082911A
  申请人：——

  公开号：US4082911A

  公开（公告）日：1978-04-04