2-{6-[((3R)oxolan-3-yl)amino]-8-(prop-2-enylamino)purin-9-yl}(4S,2R,3R,5R)-5-(hydroxymethyl)oxolane-3,4-diol | 343335-61-5

• 分子结构分类: 有机化合物 - 核苷、核苷酸和类似物 - 嘌呤核苷
• 英文名称: 2-{6-[((3R)oxolan-3-yl)amino]-8-(prop-2-enylamino)purin-9-yl}(4S,2R,3R,5R)-5-(hydroxymethyl)oxolane-3,4-diol
• 英文别名: (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[[(3R)-oxolan-3-yl]amino]-8-(prop-2-enylamino)purin-9-yl]oxolane-3,4-diol
• CAS: 343335-61-5
• 化学式: C₁₇H₂₄N₆O₅
• 分子量: 392.415
• InChiKey: DZQNHLWDANVRLC-ZGOQAQPGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.2
• 重原子数：
  28
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  147
• 氢给体数：
  5
• 氢受体数：
  10

文献信息

• N?6 HETEROCYCLIC 8-MODIFIED ADENOSINE DERIVATIVES
  申请人：CV THERAPEUTICS, INC.

  公开号：EP1237898A2

  公开（公告）日：2002-09-11
• US6576620B2
  申请人：——

  公开号：US6576620B2

  公开（公告）日：2003-06-10
• [EN] METHOD OF IDENTIFYING PARTIAL ADENOSINE A1 RECEPTOR AGONISTS AND THEIR USE IN THE TREATMENT OF ARRHYTHMIAS<br/>[FR] PROCEDE D'IDENTIFICATION D'AGONISTES PARTIELS DES RECEPTEURS DE L'ADENOSINE A1 ET UTILISATION DE CES AGONISTES POUR LE TRAITEMENT DES ARYTHMIES
  申请人：CV THERAPEUTICS INC

  公开号：WO2001040799A2

  公开（公告）日：2001-06-07

  The present invention provides a method for identifying partial adenosine A1 receptor, based on comparing the (35S)-GTP-gamma-S binding to G proteins induced by a candidate compound and by a full agonist. N6-heterocyclic-C8-modified adenosine derivates were identified, useful in treating arrhytmias.
• [EN] N<6> HETEROCYCLIC 8-MODIFIED ADENOSINE DERIVATIVES<br/>[FR] DERIVES D'ADENOSINE N<6> HETEROCYCLIQUE MODIFIES EN POSITION 8
  申请人：CV THERAPEUTICS INC

  公开号：WO2001042265A2

  公开（公告）日：2001-06-14

  N6 heterocyclic 8 modified adenosine derivatives that are selective, partial or full adenosine A¿1? receptor partial or full agonists, and as such, are useful for modifying cardiac activity, modifying adipocyte function, treating central nervous system disorders, and treating diabetic disorders and obesity in mammals, and especially in humans.