(Z,S)-(+)-2-amino-6-allylamino-9-[(2-hydroxymethyl)cyclopropylidenemethyl]purine

• 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: (Z,S)-(+)-2-amino-6-allylamino-9-[(2-hydroxymethyl)cyclopropylidenemethyl]purine
• 英文别名: XCC-I-58；2-amino-6-chloropurine-9-yl；[2-(6-Allylamino-2-amino-purin-9-ylmethylene)-cyclopropyl]-methanol；[(1S,2Z)-2-[[2-amino-6-(prop-2-enylamino)purin-9-yl]methylidene]cyclopropyl]methanol
• 化学式: C₁₃H₁₆N₆O
• 分子量: 272.31
• InChiKey: JQWHYLCDVANNEX-BZJXQOFCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  20
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  102
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  丙烯胺 、 (Z,S)-(+)-2-amino-6-chloro-9-[(2-hydroxymethyl)cyclopropylidene]methylpurine 以 乙醇 为溶剂， 以82%的产率得到(Z,S)-(+)-2-amino-6-allylamino-9-[(2-hydroxymethyl)cyclopropylidenemethyl]purine
  参考文献：
  名称：

  2-amino-9-[(2-hydroxymethyl) cyclopropylidenemethyl] purines as antiviral agents

  摘要：

  对病毒活性的化合物具有以下公式：其中B为2-氨基嘌呤-9-基，可以是未取代或在6位取代为NHR1、OR2或SR3；R1选自由烷基、烯基、炔基和C4-18环烷基的群组，其中任何一个可以选择性地取代为羟基、卤素、氨基、酰基、环烷基、杂环烷基和芳基中的一个或多个成员；R2选自C2-18烷基、烯基、炔基和环烷基的群组，其中任何一个可以是支链或直链，并且可以选择性地取代为羟基、卤素、氨基、酰基、环烷基、杂环烷基和芳基中的一个或多个成员；R3选自自由烷基、烯基、炔基和环烷基的群组，其中任何一个可以是支链或直链，并且可以选择性地取代为羟基、卤素、氨基、酰基、环烷基、杂环烷基和芳基中的一个或多个成员。

  公开号：

  US09174990B2

文献信息

• 2-amino-9-[(2-hydroxymethyl) cyclopropylidenemethyl] purines as antiviral agents
  申请人：Zemlicka Jiri

  公开号：US09174990B2

  公开（公告）日：2015-11-03

  Compounds which are active against viruses have the following Formulas: wherein B is 2-aminopurine-9-yl, which may be unsubstituted or substituted in the 6 position with NHR1, OR2, or SR3; R1 is selected from the group consisting of alkyl, alkenyl, alkynyl, and C4-18 cycloalkyl, any of which may be optionally substituted with one or more members of the group consisting of hydroxy, halo, amino, acyl, cycloalkyl, heterocyclyl and aryl; R2 is selected from the group consisting of C2-18 alkyl, alkenyl, alkynyl, and cycloalkyl, any of which may be branched or unbranched and optionally substituted with one or more members of the group consisting of hydroxy, halo, amino, acyl, cycloalkyl, heterocyclyl, and aryl; and R3 is selected from the group consisting of alkyl, alkenyl, alkynyl, and cycloalkyl, any of which may be branched or unbranched and optionally substituted with one or more members of the group consisting of hydroxy, halo, amino, acyl, cycloalkyl, heterocyclyl and aryl.

  对病毒活性的化合物具有以下公式：其中B为2-氨基嘌呤-9-基，可以是未取代或在6位取代为NHR1、OR2或SR3；R1选自由烷基、烯基、炔基和C4-18环烷基的群组，其中任何一个可以选择性地取代为羟基、卤素、氨基、酰基、环烷基、杂环烷基和芳基中的一个或多个成员；R2选自C2-18烷基、烯基、炔基和环烷基的群组，其中任何一个可以是支链或直链，并且可以选择性地取代为羟基、卤素、氨基、酰基、环烷基、杂环烷基和芳基中的一个或多个成员；R3选自自由烷基、烯基、炔基和环烷基的群组，其中任何一个可以是支链或直链，并且可以选择性地取代为羟基、卤素、氨基、酰基、环烷基、杂环烷基和芳基中的一个或多个成员。
• 2-amino-9-[(2-hydroxymethyl) cyclopropylidenemethyl] purine antiviral agents
  申请人：Zemlicka Jiri

  公开号：US20050124582A1

  公开（公告）日：2005-06-09

  Compounds which are active against viruses have the following Formulas: wherein B is 2-aminopurine-9-yl, which may be unsubstituted or substituted in the 6 position with NHR 1 , OR 2 , or SR 3 ; R 1 is selected from the group consisting of alkyl, alkenyl, alkynyl, and C 4-18 cycloalkyl, any of which may be optionally substituted with one or more members of the group consisting of hydroxy, halo, amino, acyl, cycloalkyl, heterocyclyl and aryl; R 2 is selected from the group consisting of C 2-18 alkyl, alkenyl, alkynyl, and cycloalkyl, any of which may be branched or unbranched and optionally substituted with one or more members of the group consisting of hydroxy, halo, amino, acyl, cycloalkyl, heterocyclyl, and aryl; and R 3 is selected from the group consisting of alkyl, alkenyl, alkynyl, and cycloalkyl, any of which may be branched or unbranched and optionally substituted with one or more members of the group consisting of hydroxy, halo, amino, acyl, cycloalkyl, heterocyclyl and aryl.

  具有抗病毒活性的化合物有如下式子： 其中 B 是 2-氨基嘌呤-9-基，它可以未被取代或在 6 位被 NHR 取代 1 ，OR 2 或 SR 3 ; R 1 选自由烷基、烯基、炔基和 C 4-18 环烷基，其中任一环烷基可被羟基、卤代、氨基、酰基、环烷基、杂环烷基和芳基中的一个或多个成员任选取代； R 2 选自由 C 2-18 烷基、烯基、炔基和环烷基组成的组，其中任一环烷基可以是支链或非支链的，并可选地被羟基、卤代、氨基、酰基、环烷基、杂环烷基和芳基组成的组中的一个或多个成员取代；以及 R 3 选自由烷基、烯基、炔基和环烷基组成的组，其中任一环烷基可支化或不支化，并可选被羟基、卤代、氨基、酰基、环烷基、杂环烷基和芳基组成的组中的一个或多个成员取代。
• NOVEL 2-AMINO-9-((2-HYDROXYMETHYL) CYCLOPROPYLIDENEMETHYL) PURINES AS ANTIVIRAL AGENTS
  申请人：Wayne State University

  公开号：EP1490015A2

  公开（公告）日：2004-12-29
• EP1490015A4
  申请人：——

  公开号：EP1490015A4

  公开（公告）日：2005-12-28
• 2-Amino-9-[(2-hydroxymethyl) cyclopropylidenemethyl] purines as antiviral agents
  申请人：Zemlicka Jiri

  公开号：US20070225302A1

  公开（公告）日：2007-09-27

  Compounds which are active against viruses have the following Formulas: wherein B is 2-aminopurine-9-yl, which may be unsubstituted or substituted in the 6 position with NHR 1 , OR 2 , or SR 3 ; R 1 is selected from the group consisting of alkyl, alkenyl, alkynyl, and C 4-18 cycloalkyl, any of which may be optionally substituted with one or more members of the group consisting of hydroxy, halo, amino, acyl, cycloalkyl, heterocyclyl and aryl; R 2 is selected from the group consisting of C 2-18 alkyl, alkenyl, alkynyl, and cycloalkyl, any of which may be branched or unbranched and optionally substituted with one or more members of the group consisting of hydroxy, halo, amino, acyl, cycloalkyl, heterocyclyl, and aryl; and R 3 is selected from the group consisting of alkyl, alkenyl, alkynyl, and cycloalkyl, any of which may be branched or unbranched and optionally substituted with one or more members of the group consisting of hydroxy, halo, amino, acyl, cycloalkyl, heterocyclyl and aryl.