6-Pentyl-9H-purine | 96287-86-4

• 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: 6-Pentyl-9H-purine
• 英文别名: 6-pentyl-7H-purine
• CAS: 96287-86-4
• 化学式: C₁₀H₁₄N₄
• 分子量: 190.248
• InChiKey: ILWWSARMOFIHQZ-UHFFFAOYSA-N

物化性质

• 沸点：
  309.3±25.0 °C(Predicted)
• 密度：
  1.23±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  54.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  正戊基溴化镁 、 6-甲巯基嘌呤 在 1,3-bis[(diphenylphosphino)propane]dichloronickel(II) 作用下， 以 四氢呋喃 、 乙醚 为溶剂， 反应 8.0h， 以62%的产率得到6-Pentyl-9H-purine
  参考文献：
  名称：

  镍络合物催化 6-(甲硫基)嘌呤衍生物与格氏试剂偶联反应合成 6-烷基嘌呤衍生物

  摘要：

  6-(甲硫基)嘌呤与 RMgX (R=C6H5, CH3(CH2)nCH2 (n=2 to 6), C6H5CH2CH2, (CH3)2 C=CHCH2CH2) 在 5 mol% [NiCl2(Ph2PCH2CH2CH2PPh2)] 存在下反应将 THF 回流 8 小时，以 62-74% 的产率得到 6-芳基或 6-烷基嘌呤。通过将该反应应用于 6-(甲硫基)嘌呤核苷，合成了 6-(4-甲基-3-戊烯基)-9-β-D-呋喃核糖基嘌呤。

  DOI：

  10.1246/bcsj.58.664

文献信息

• 2'-AZIDO SUBSTITUTED NUCLEOSIDE DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES
  申请人：Girijavallabhan Vinay

  公开号：US20140206640A1

  公开（公告）日：2014-07-24

  The present invention relates to 2′-Azido Substituted Nucleoside Derivatives of Formula (I): and pharmaceutically acceptable salts thereof, wherein B, X, R 1 , R 2 and R 3 are as defined herein. The present invention also relates to compositions comprising at least one 2′-Azido Substituted Nucleoside Derivative, and methods of using the 2′-Azido Substituted Nucleoside Derivatives for treating or preventing HCV infection in a patient.

  本发明涉及式(I)的2'-叠氮基取代核苷衍生物及其药学上可接受的盐，其中B、X、R1、R2和R3如本文所定义。本发明还涉及包含至少一种2'-叠氮基取代核苷衍生物的组合物，以及使用这些2'-叠氮基取代核苷衍生物治疗或预防患者HCV感染的方法。
• Bridged-Cyclo-ProTides as Prodrugs of Therapeutic Nucleosides and Nucleotides
  申请人：Zhong Minghong

  公开号：US20150266918A1

  公开（公告）日：2015-09-24

  Provided herein are bridged cyclic phosphates and phosphoramidates (bc-ProTides) of nucleosides, which is a compound, its stereoisomers, isotope-enriched analogues, pharmaceutically acceptable salts, hydrates, solvates, or crystalline or polymorphic forms thereof, with the following structure: These compounds can be used for the treatment of viral infections and/or neoplastic diseases in mammals. By optimizing combinations of Y 2 , Y 3 , R 0 , and M, the cleavability of these compounds as prodrugs can be attuned for different tissue targeting with various functional combinations. Also disclosed are processes and methods for preparation of these compounds.

  本文提供了核苷的桥接环磷酸酯和磷酰胺酯（bc-ProTides），这是一种化合物，包括其立体异构体、同位素富集类似物、药用可接受盐、水合物、溶剂合物，或其结晶或多形式，具有以下结构： 这些化合物可用于治疗哺乳动物的病毒感染和/或肿瘤性疾病。通过优化Y 2 、Y 3 、R 0 和M的组合，这些化合物作为前药的可裂性可以调节以适应不同组织靶向和各种功能组合。还公开了制备这些化合物的过程和方法。
• 2'-CYANO SUBSTITUTED NUCLEOSIDE DERIVATIVES AND METHODS OF USE THEREOF USEFUL FOR THE TREATMENT OF VIRAL DISEASES
  申请人：Girijavallabhan Vinay

  公开号：US20140161770A1

  公开（公告）日：2014-06-12

  The present invention relates to 2′-Cyano Substituted Nucleoside Derivatives of Formula (I): and pharmaceutically acceptable salts thereof, wherein B, X, R 1 , R 2 and R 3 are as defined herein. The present invention also relates to compositions comprising at least one 2′-Cyano Substituted Nucleoside Derivative, and methods of using the 2′-Cyano Substituted Nucleoside Derivatives for treating or preventing HCV infection in a patient.

  本发明涉及式(I)的2'-氰基取代核苷衍生物及其药学上可接受的盐，其中B、X、R1、R2和R3如本文所定义。本发明还涉及包含至少一种2'-氰基取代核苷衍生物的组合物，以及使用这些2'-氰基取代核苷衍生物治疗或预防患者HCV感染的方法。
• Spiroannulated Nucleosides and Process for the Preparation Thereof
  申请人：Chepuri Venkata Ramana

  公开号：US20130289266A1

  公开（公告）日：2013-10-31

  We claim a simple strategy for the synthesis of a collection of C(3′)-spirodihydroisobenzo- furannulated and C(3′)-spirodihydroisobenzo-furannulated nucleosides featuring a [2+2+2]-cyclotrimerization as the key reaction. The cyclotrimerization reactions are facile with the unprotected nucleosides having a diyne unit. When both alkynes of the diyne are terminal, the regioselectivity is poor. However, when one of the terminal alkynes is additionally substituted, the cyclotrimerizations are highly diaste reoselective. Since the key bicycloannulation is the final step, this strategy provides flexibility in terms of the alkynes and is thus amenable for the synthesis of a focussed small molecule library.

  我们提出了一种简单的合成策略，用于合成一系列C(3′)-螺二氢异苯并呋喃和C(3′)-螺二氢异苯并呋喃核苷，其特点是[2+2+2]-环三聚化反应作为关键反应。未保护的核苷具有二炔基团，环三聚化反应是容易进行的。当二炔基团的两个炔基都是末端时，区域选择性较差。然而，当一个末端炔基另外被取代时，环三聚化反应具有很高的立体选择性。由于关键的双环融合是最后一步，这种策略在炔烃方面提供了灵活性，因此适合用于合成一个专注的小分子库。
• Process for the preparation of 2'-halo-beta-L-arabinofuranosyl nucleosides
  申请人：——

  公开号：US20030060622A1

  公开（公告）日：2003-03-27

  The present invention is directed to the process for the preparation of 2′-deoxy-2′-halo-&bgr;-L-arabinofuranosyl nucleosides, and in particular, 2′-deoxy-2′-fluoro-&bgr;-L-arabinofuranosyl thymine (L-FMAU), from L-arabinose, which is commercially available and less expensive than L-ribose or L-xylose, in ten steps. All of the reagents and starting materials are inexpensive and no special equipment is required to carry out the reactions.

  本发明涉及制备2'-脱氧-2'-卤代-β-L-阿拉伯呋喃核苷的过程，特别是从商业可获得且价格较低的L-阿拉伯糖制备2'-脱氧-2'-氟-β-L-阿拉伯呋喃胸苷（L-FMAU），共经过十个步骤。所有试剂和起始原料都廉价，并且不需要特殊设备来进行反应。