[(2R,3R,4R,5R)-5-(1,3-benzothiazol-2-yl)-3,4-dibenzoyloxyoxolan-2-yl]methyl benzoate | 68115-90-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: [(2R,3R,4R,5R)-5-(1,3-benzothiazol-2-yl)-3,4-dibenzoyloxyoxolan-2-yl]methyl benzoate
• CAS: 68115-90-2
• 化学式: C₃₃H₂₅NO₇S
• 分子量: 579.63
• InChiKey: YCXAXTMGBHKNLY-YXINZVNLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.7
• 重原子数：
  42
• 可旋转键数：
  11
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  129
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  [(2R,3R,4R,5R)-5-(1,3-benzothiazol-2-yl)-3,4-dibenzoyloxyoxolan-2-yl]methyl benzoate 在 sodium methylate 作用下， 以 甲醇 为溶剂， 生成 (1R)-1-benzothiazol-2-yl-D-1,4-anhydro-ribitol
  参考文献：
  名称：

  新型核苷酸三磷酸酯作为有效的P2Y2激动剂，具有比UTP更高的稳定性。

  摘要：

  报道了一系列新的C连接的核苷酸三磷酸的合成。这些表现出对P2Y2受体的优异的激动剂效力和选择性，许多实例的EC 50值低于10nM。与天然配体UTP相比，N-连接和C-连接系列的代表性化合物显示出增强的代谢稳定性。

  DOI：

  10.1016/j.bmcl.2006.10.038

文献信息

• Non-natural carbon-linked nucleotides and dinucleotides
  申请人：Mack Robert Stephen

  公开号：US20050009777A1

  公开（公告）日：2005-01-13

  Nucleotide derivatives of formula (1) are described, wherein: G is a hydrogen atom or an optionally substituted aliphatic, heteroaliphatic, cycloaliphatic, polycycloaliphatic, aromatic or heteroaromatic group or a non natural carbon-linked nucleoside as defined herein; G′ is a non-natural carbon-linked nucleoside as defined herein; n is zero, or the integer 1 or 2; m is zero or the integer 1 or 2; and the salts, solvates, hydrates and N-oxides thereof. The compounds are P2Y receptor agonists and are of use in the prophylaxis and treatment of diseases and disorders involving abnormal secretory mechanisms such as inadequate functioning of mucociliary clearance mechanisms or abnormal tear secretion or in the treatment of diseases involving inappropriate cellular glucose uptake.

  本文描述了式（1）的核苷酸衍生物，其中：G是氢原子或可选取代的脂肪族，杂脂族，环脂族，多环脂族，芳香族或杂芳香族基团或非天然的碳链核苷酸，如本文所定义；G'是本文所定义的非天然碳链核苷酸；n为零或整数1或2；m为零或整数1或2；以及其盐，溶剂合物，水合物和N-氧化物。这些化合物是P2Y受体激动剂，可用于预防和治疗涉及异常分泌机制的疾病和障碍，例如粘液纤毛清除机制的功能不足或泪液分泌异常，或用于治疗涉及不适当细胞葡萄糖摄取的疾病。
• NON-NATURAL CARBON-LINKED NUCLEOTIDES AND DINUCLEOTIDES
  申请人：Celltech R & D Limited

  公开号：EP1409503A1

  公开（公告）日：2004-04-21
• [EN] NON-NATURAL CARBON-LINKED NUCLEOTIDES AND DINUCLEOTIDES<br/>[FR] NUCLEOTIDES ET DINUCLEOTIDES A LIAISON CARBONE NON NATURELS
  申请人：CELLTECH R&D LTD

  公开号：WO2003011885A1

  公开（公告）日：2003-02-13

  Nucleotide derivatives of formula (1) are described, wherein: G is a hydrogen atom or an optionally substituted aliphatic, heteroaliphatic, cycloaliphatic, polycycloaliphatic, aromatic or heteroaromatic group or a non natural carbon-linked nucleoside as defined herein; G' is a non-natural carbon-linked nucleoside as defined herein; n is zero, or the integer 1 or 2; m is zero or the integer 1 or 2; and the salts, solvates, hydrates and N-oxides thereof. The compounds are P2Y receptor agonists and are of use in the prophylaxis and treatment of diseases and disorders involving abnormal secretory mechanisms such as inadequate functioning of mucociliary clearance mechanisms or abnormal tear secretion or in the treatment of diseases involving inappropriate cellular glucose uptake.
• Novel nucleotide triphosphates as potent P2Y2 agonists with enhanced stability over UTP
  作者：Richard J. Davenport、Paloma Diaz、Frances C.A. Galvin、Steve Lloyd、Stephen R. Mack、Ray Owens、Verity Sabin、Joanne Wynn

  DOI：10.1016/j.bmcl.2006.10.038

  日期：2007.1

  The synthesis of a series of novel C-linked nucleotide triphosphates is reported. These exhibit excellent agonist potency and selectivity for the P2Y2 receptor with a number of examples having EC50 values below 10 nM. Representative compounds from the N-linked and C-linked series showed enhanced metabolic stability compared with that of the natural ligand UTP.

  报道了一系列新的C连接的核苷酸三磷酸的合成。这些表现出对P2Y2受体的优异的激动剂效力和选择性，许多实例的EC 50值低于10nM。与天然配体UTP相比，N-连接和C-连接系列的代表性化合物显示出增强的代谢稳定性。