CVT 3033 | 313350-86-6

• 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: CVT 3033
• 英文别名: (4S,2R,3R,5R)-2-[6-amino-2-(1-pentylpyrazol-4-yl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol；(2R,3R,4S,5R)-2-[6-amino-2-(1-pentylpyrazol-4-yl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
• CAS: 313350-86-6
• 化学式: C₁₈H₂₅N₇O₄
• 分子量: 403.441
• InChiKey: SZQIRVBJFJWUEK-XWXWGSFUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  29
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  157
• 氢给体数：
  4
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  4-iodo-1-pentyl-1H-pyrazole 在 氟化铵 、 copper(l) iodide 、 四(三苯基膦)钯 作用下， 以 甲醇 为溶剂， 生成 CVT 3033
  参考文献：
  名称：

  Structure–affinity relationships of the affinity of 2-pyrazolyl adenosine analogues for the adenosine A2A receptor

  摘要：

  The structure-affinity relationships of two novel 2-substituted adenosine series containing a substituted pyrazole attached at the N-1 or C-4 position for the adenosine (ADO) A(2A) receptor are described. Compounds in the 2-(N-1-pyrazolyl) adenosine series IV provided the highest affinity for the ADO A(2A) receptor as compared to the 2-(C-4-pyrazolyl) series V. The main structural differences between the two series point to the N-1 nitrogen of series IV imparting more favorable binding interactions with the receptor than those of series V. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00609-1

文献信息

• C-pyrazole A2A receptor agonists
  申请人：CV Therapeutics, Inc.

  公开号：US20010018428A1

  公开（公告）日：2001-08-30

  2-adenosine C-pyrazole compositions having the following formula: 1 and methods for using the compositions as A2A receptor agonists to stimulate mammalian coronary vasodilatation for therapeutic purposes and for purposes of imaging the heart.

  具有以下公式的2-腺苷C-吡唑复合物：1，并用于将复合物作为A2A受体激动剂以刺激哺乳动物冠状血管扩张的治疗目的和心脏成像目的的方法。
• C-Pyrazole A2A receptor agonists
  申请人：Zablocki A. Jeff

  公开号：US20070207978A1

  公开（公告）日：2007-09-06

  2-adenosine C-pyrazole compounds having formula (a) and methods for using the compounds as A2A receptor agonists to stimulate mammalian coronary vasodilatation for therapeutic purposes and for purposes of imaging the heart.

  具有以下化学式(a)的2-腺苷C-吡唑化合物和使用该化合物作为A2A受体激动剂刺激哺乳动物冠状动脉扩张的方法，以治疗目的和心脏成像目的。
• C-Pyrazole A2A Receptor Agonists
  申请人：Zablocki Jeff A.

  公开号：US20100081810A1

  公开（公告）日：2010-04-01

  2-adenosine C-pyrazole compounds having formula (a) and methods for using the compounds as A2A receptor agonists to stimulate mammalian coronary vasodilatation for therapeutic purposes and for purposes of imaging the heart.

  具有公式（a）的2-腺苷C-吡唑化合物，以及使用这些化合物作为A2A受体激动剂刺激哺乳动物冠状动脉扩张以治疗目的和用于心脏成像的方法。
• Myocardial perfusion imaging using adenosine receptor agonists
  申请人：Gilead Palo Alto, Inc.

  公开号：EP2366396A1

  公开（公告）日：2011-09-21

  A myocardial imaging method that is accomplished by administering one or more adenosime A2A adenosine receptor agonist to a human undergoing myocardial imaging as well as pharmaceutical compositions comprising at least one A2a receptor agonist, at least one liquid carrier, and at least one co-solvent.

  一种心肌成像方法，通过向接受心肌成像的人施用一种或多种腺苷 A2A 腺苷受体激动剂以及包含至少一种 A2a 受体激动剂、至少一种液体载体和至少一种助溶剂的药物组合物来实现。
• Myocardial perfusion imaging method
  申请人：CV Therapeutics

  公开号：US20040064039A1

  公开（公告）日：2004-04-01

  A myocardial imaging method that is accomplished by administering one or more adenosine A 2A adenosine receptor agonist to a human undergoing myocardial imaging.

  一种心肌成像方法，通过给心肌注射一种或多种腺苷 A 2A 腺苷受体激动剂。