2-chloro-6-hydroxy-N-9-n-propyl-9H-purine | 769158-43-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并嘧啶类
• 英文名称: 2-chloro-6-hydroxy-N-9-n-propyl-9H-purine
• 英文别名: 2-chloro-9-propyl-1H-purin-6-one
• CAS: 769158-43-2
• 化学式: C₈H₉ClN₄O
• 分子量: 212.639
• InChiKey: YRIILLUALAPYMQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  59.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  丙醇 、 2,6-二氯嘌呤盐酸盐 在 aluminum oxide 作用下， 反应 6.0h， 以55%的产率得到2-chloro-6-hydroxy-N-9-n-propyl-9H-purine
  参考文献：
  名称：

  N-Alkylation of 2,6-Dichloropurine Hydrochloride with a Variety of Alcohols over Alumina Catalyst

  摘要：

  2,6-Dichloropurine hydrochloride reacts with various types of alcohols using different alumina catalysts and converts into its N-9-alkyl-2-chloro-6-hydroxy-9H-purine products to an extent of 49-74%. The product selectivity depends on the stability of carbocation generated from the alcohol. More stable carbocation formulates both N-7 and N-9-alkyl-2,6-dichloropurine products, whereas the less stable carbocation results in exclusively N-9-alkyl-2-chloro-6-hydroxy-9H-purine. The catalytic activity of alumina prepared using the sol-gel method has larger Brunauer, Emmett, and Teller (BET) surface area and hence shows significantly greater catalytic activity than the commercially available alumina samples.

  DOI：

  10.1080/00397910903162791

文献信息

• Dipeptidyl peptidase inhibitors
  申请人：Syrrx, Inc.

  公开号：US20040259870A1

  公开（公告）日：2004-12-23

  Compounds, pharmaceuticals, kits and methods are provided for use with DPP-IV and other S9 protease that comprise a compound comprising the formula: 1 wherein Q is selected from the group of CO, SO, SO 2 , or C═NR 9 ; and R 1 , R 2 , R 3 and R 4 are as defined herein.

  提供了与DPP-IV和其他S9蛋白酶一起使用的化合物、药物、试剂盒和方法，其中包括具有以下式子的化合物：1，其中Q是从CO、SO、SO2或C═NR9;组中选择的，而R1、R2、R3和R4如在此定义。
• Ectonucleotidase inhibitors and methods of use thereof
  申请人：Calithera Biosciences, Inc.

  公开号：US10570167B2

  公开（公告）日：2020-02-25

  The invention relates to novel heterocyclic compounds and pharmaceutical preparations thereof. The invention further relates to methods of treating or preventing cancer using the novel heterocyclic compounds of the invention.

  本发明涉及新型杂环化合物及其药物制剂。本发明还涉及使用本发明的新型杂环化合物治疗或预防癌症的方法。
• DIPEPTIDYL PEPTIDASE INHIBITORS
  申请人：Takeda San Diego, Inc.

  公开号：EP1608317A2

  公开（公告）日：2005-12-28
• EP1608317A4
  申请人：——

  公开号：EP1608317A4

  公开（公告）日：2006-12-27
• Ectonucleotidase Inhibitors and Methods of Use Thereof
  申请人：Calithera Biosciences, Inc.

  公开号：US20180186827A1

  公开（公告）日：2018-07-05

  The invention relates to novel heterocyclic compounds and pharmaceutical preparations thereof. The invention further relates to methods of treating or preventing cancer using the novel heterocyclic compounds of the invention.