[(2R,3R,4R,5R)-3,4-dibenzoyloxy-5-(8-methyl-1-oxoisoquinolin-2-yl)oxolan-2-yl]methyl benzoate | 444898-41-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异喹啉及其衍生物
• 英文名称: [(2R,3R,4R,5R)-3,4-dibenzoyloxy-5-(8-methyl-1-oxoisoquinolin-2-yl)oxolan-2-yl]methyl benzoate
• CAS: 444898-41-3
• 化学式: C₃₆H₂₉NO₈
• 分子量: 603.628
• InChiKey: AUIQYBFEJBJMQS-CSEBVFCESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.5
• 重原子数：
  45
• 可旋转键数：
  11
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  108
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  [(2R,3R,4R,5R)-3,4-dibenzoyloxy-5-(8-methyl-1-oxoisoquinolin-2-yl)oxolan-2-yl]methyl benzoate 在 sodium methylate 作用下， 以 甲醇 为溶剂， 生成 2-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-8-methylisoquinolin-1-one
  参考文献：
  名称：

  Novel nucleotide triphosphates as potent P2Y2 agonists

  摘要：

  The synthesis and P2Y(2) activities of a novel series of nucleoside triphosphates are described. Many of these compounds were potent agonists of the P2Y(2) receptor. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.09.017
• 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 、 8-methylisoquinolin-1(2H)-one 在 牛血清白蛋白 、 四氯化锡 作用下， 以 乙腈 为溶剂， 生成 [(2R,3R,4R,5R)-3,4-dibenzoyloxy-5-(8-methyl-1-oxoisoquinolin-2-yl)oxolan-2-yl]methyl benzoate
  参考文献：
  名称：

  Novel nucleotide triphosphates as potent P2Y2 agonists

  摘要：

  The synthesis and P2Y(2) activities of a novel series of nucleoside triphosphates are described. Many of these compounds were potent agonists of the P2Y(2) receptor. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.09.017

文献信息

• NON-NATURAL NUCLEOTIDES AND DINUCLEOTIDES
  申请人：Celltech R & D Limited

  公开号：EP1368366A1

  公开（公告）日：2003-12-10
• [EN] NON-NATURAL NUCLEOTIDES AND DINUCLEOTIDES<br/>[FR] NUCLEOTIDES ET DINUCLEOTIDES NON NATURELS
  申请人：CELLTECH R&D LTD

  公开号：WO2002062816A1

  公开（公告）日：2002-08-15

  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 nucleoside as defined herein; G' is a non-natural necleoside 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
  作者：Daniel Brookings、Richard J. Davenport、Jeremy Davis、Frances C.A. Galvin、Steve Lloyd、Stephen R. Mack、Ray Owens、Verity Sabin、Joanne Wynn

  DOI：10.1016/j.bmcl.2006.09.017

  日期：2007.1

  The synthesis and P2Y(2) activities of a novel series of nucleoside triphosphates are described. Many of these compounds were potent agonists of the P2Y(2) receptor. (c) 2006 Elsevier Ltd. All rights reserved.