2-[3-[1-[6-[2-[[3-[3-[1-[4-(Azidomethoxy)-5-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-ynylamino]-3-oxopropyl]disulfanyl]ethylamino]-6-oxohexyl]-3,3-dimethyl-5-(trioxidanylsulfanyl)indol-1-ium-2-yl]prop-2-enylidene]-1-ethyl-3,3-dimethylindole-5-sulfonic acid

• 分子结构分类: 有机化合物 - 核苷、核苷酸和类似物 - 嘧啶核苷酸
• 英文名称: 2-[3-[1-[6-[2-[[3-[3-[1-[4-(Azidomethoxy)-5-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-ynylamino]-3-oxopropyl]disulfanyl]ethylamino]-6-oxohexyl]-3,3-dimethyl-5-(trioxidanylsulfanyl)indol-1-ium-2-yl]prop-2-enylidene]-1-ethyl-3,3-dimethylindole-5-sulfonic acid
• 英文别名: 2-[3-[1-[6-[2-[[3-[3-[1-[4-(azidomethoxy)-5-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-ynylamino]-3-oxopropyl]disulfanyl]ethylamino]-6-oxohexyl]-3,3-dimethyl-5-(trioxidanylsulfanyl)indol-1-ium-2-yl]prop-2-enylidene]-1-ethyl-3,3-dimethylindole-5-sulfonic acid
• 化学式: C49H65N9O22P3S4+
• 分子量: 1353.3
• InChiKey: GEVAEPSVFRNGTA-UHFFFAOYSA-O

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  87
• 可旋转键数：
  33
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.49
• 拓扑面积：
  484
• 氢给体数：
  9
• 氢受体数：
  28

文献信息

• Modified nucleotides
  申请人：Milton John

  公开号：US20070166705A1

  公开（公告）日：2007-07-19

  The invention provides modified nucleotide or nucleoside molecule comprising a purine or pyrimidine base and a ribose or deoxyribose sugar moiety having a removable 3′-OH blocking group covalently attached thereto, such that the 3′ carbon atom has attached a group of the structure —O-Z wherein Z is any of —C(R′)2-O—R″, —C(R′)2-N(R″)2, —C(R′)2-N(H)R″, —C(R′)2-S—R″ and —C(R′)2-F, wherein each R″ is or is part of a removable protecting group; each R′ is independently a hydrogen atom, an alkyl, substituted alkyl, arylalkyl, alkenyl, alkynyl, aryl, heteroaryl, heterocyclic, acyl, cyano, alkoxy, aryloxy, heteroaryloxy or amido group, or a detectable label attached through a linking group; or (R′)2 represents an alkylidene group of formula ═C(R′″)2 wherein each R′″ may be the same or different and is selected from the group comprising hydrogen and halogen atoms and alkyl groups; and wherein said molecule may be reacted to yield an intermediate in which each R″ is exchanged for H or, where Z is —C(R′)2-F, the F is exchanged for OH, SH or NH2, preferably OH, which intermediate dissociates under aqueous conditions to afford a molecule with a free 3′OH; with the proviso that where Z is —C(R′)2-S—R″, both R′ groups are not H.

  该发明提供了一种改性核苷酸或核苷分子，包括嘌呤或嘧啶碱基和核糖或脱氧核糖糖基，其具有可拆卸的3'-OH阻断基团共价连接，使得3'碳原子上附着一个结构为-O-Z的基团，其中Z为—C（R'）2-O—R"、—C（R'）2-N（R"）2、—C（R'）2-N（H）R"、—C（R'）2-S—R"和—C（R'）2-F中的任意一种，其中每个R"是可拆卸的保护基团或其一部分；每个R'独立地是氢原子、烷基、取代烷基、芳基烷基、烯基、炔基、芳基、杂环芳基、杂环、酰基、氰基、烷氧基、芳氧基、杂环芳氧基或酰胺基，或通过连接基团连接的可检测标记；或（R'）2表示公式═C（R' "）2的烷基亚甲基，其中每个R' "可以相同或不同，选择自氢原子和卤素原子和烷基；并且该分子可以反应生成中间体，在该中间体中，每个R"被交换为H或者，当Z为—C（R'）2-F时，F被交换为OH、SH或NH2，优选为OH，该中间体在水条件下解离，以得到具有自由3'-OH的分子；但是，当Z为—C（R'）2-S—R"时，两个R'基团不是H。
• US7541444B2
  申请人：——

  公开号：US7541444B2

  公开（公告）日：2009-06-02
• US7771973B2
  申请人：——

  公开号：US7771973B2

  公开（公告）日：2010-08-10
• US8071739B2
  申请人：——

  公开号：US8071739B2

  公开（公告）日：2011-12-06