2-chloro-9-(tetrahydro-pyran-2-yl)-9H-6-(cyclopropyl-amino)-purin | 1018906-20-1

• 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-9-(tetrahydro-pyran-2-yl)-9H-6-(cyclopropyl-amino)-purin
• 英文别名: 6-cyclopropylamino-2-dichloro-9-(tetrahydropyran-2-yl)-9H-purine；3-chloro-9-(tetrahydro-pyran-2-yl)-9H-6-(cyclopropyl-amino)-purine；2-chloro-N-cyclopropyl-9-(tetrahydro-2H-pyran-2-yl)-9H-purine-6-amine；2-choro-N-cyclopropyl-9-(tetrahydro-2H-pyran-2-yl)-9H-purine-6-amine；2-chloro-N-cyclopropyl-9-(oxan-2-yl)purin-6-amine
• CAS: 1018906-20-1
• 化学式: C₁₃H₁₆ClN₅O
• 分子量: 293.756
• InChiKey: IRYGGDVDSGIYQB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  64.9
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-chloro-9-(tetrahydro-pyran-2-yl)-9H-6-(cyclopropyl-amino)-purin 在 palladium diacetate potassium carbonate 、 sodium t-butanolate 、 2-(二环己基膦基)联苯 作用下， 以 乙二醇二甲醚 、 水 、 丙酮 为溶剂， 反应 3.5h， 生成 6-N-cyclopropyl-2-N-pyridin-4-yl-7H-purine-2,6-diamine
  参考文献：
  名称：

  2, 6-Dinitrogen-Containing Substituted Purine Derivatives, The Preparation And Uses Thereof

  摘要：

  本发明提供了具有式(A)的2,6-二氮代取代嘌呤化合物或其盐或溶剂合物或其盐的溶剂，以及含有这种化合物的药物组合物。本发明的化合物具有低毒性、广泛的抗癌谱、较高的抗癌活性、良好的稳定性等特点。这些化合物可用于制造抗肿瘤药物。本发明还提供了制备这些化合物的方法。

  公开号：

  US20100144663A1
• 作为产物：
  描述：

  2,6-二氯-9-(四氢-2H-吡喃-2-基)-9h-嘌呤 、 环丙胺 在 三乙胺 作用下， 以 乙酸乙酯 为溶剂， 反应 1.0h， 生成 2-chloro-9-(tetrahydro-pyran-2-yl)-9H-6-(cyclopropyl-amino)-purin
  参考文献：
  名称：

  一类新的取代嘌呤与Gly-AA-OBzl的偶联物：口服镇痛活性的合成和评价

  摘要：

  针对慢性疼痛的化学疗法，通过五步反应方法和19种新型缀合物N- [2-氯-9-（四氢吡喃-2-）偶联了两种止痛药，取代的嘌呤和Gly-AA-OBzl。提供了（yl）-9 H-嘌呤-6-yl] -N-环丙基糖基氨基酸苄酯。在鼠尾轻弹模型上，测定了它们的体内止痛活性。结果表明，将Gly-OC 2 H 5引入取代的嘌呤的6-位导致镇痛活性的模棱两可的增加，而将Gly-AA-OBzl引入该位置导致镇痛活性的显着增加。

  DOI：

  10.1016/j.bmcl.2009.05.077

文献信息

• 2, 6-Di-Nitrogen-Containing Substituted Purine Derivative, And Preparation Method, Pharmaceutical Composition And Use Thereof
  申请人：ZHEJIANG MEDICINE CO., LTD. XINCHANG PHARMACEUTICAL FACTORY

  公开号：US20160207924A1

  公开（公告）日：2016-07-21

  The present invention provides a 2, 6-di-nitrogen-containing substituted purine derivative having a formula (I) structure, or pharmaceutical salt or hydrate thereof, and preparation method and use thereof. The compound is broad spectrum anticancer, low toxicity, high anticancer activity and good stability.

  本发明提供了一种具有式（I）结构的2,6-二氮含量取代嘌呤衍生物，或其药用盐或水合物，以及其制备方法和用途。该化合物具有广谱抗癌、低毒性、高抗癌活性和良好稳定性。
• 2, 6-dinitrogen-containing substituted purine derivatives, the preparation and uses thereof
  申请人：Wu Zhanggui

  公开号：US08580763B2

  公开（公告）日：2013-11-12

  The present invention provides 2,6-dinitrogen-containing substituted purine compounds of formula (A) or salts or solvates thereof or the solvates of salts thereof, as well as pharmaceutical compositions containing such compounds. The compounds of the present invention have the characteristics of lower toxicity, broad anticancer spectrum, higher anticancer activity, good stability and the like. The compounds are useful for the manufacture of an antitumor medicament. The present invention also provides a process for preparing these compounds.

  本发明提供了式(A)的2,6-二氮代取代嘌呤化合物或其盐或溶剂或其盐的溶剂，以及含有这种化合物的制药组合物。本发明的化合物具有毒性较低、广谱抗癌、抗癌活性较高、稳定性好等特点。这些化合物可用于制造抗肿瘤药物。本发明还提供了制备这些化合物的工艺。
• [EN] 2, 6-DI-NITROGEN-CONTAINING SUBSTITUTED PURINE DERIVATIVE, AND PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF<br/>[FR] DÉRIVÉ DE PURINE SUBSTITUÉ CONTENANT DE L'AZOTE 2, 6-DI ET SON PROCÉDÉ DE PRÉPARATION, COMPOSITION PHARMACEUTIQUE ET UTILISATION DE CELLE-CI
  申请人：ZHEJIANG MED XINCHANG PHARM

  公开号：WO2015027667A1

  公开（公告）日：2015-03-05

  本发明提供了一种式(I)结构的2，6-二含氮取代的嘌呤衍生物或其药用盐或其水合物及其制备方法和其应用。本发明的化合物具有毒性低、抗癌谱广、抗癌活性高、稳定性好等特点。
• 2, 6-DINITROGEN-CONTAINING SUBSTITUTED PURINE DERIVATIVES, THE PREPARATION AND USES THEREOF
  申请人：ZheJiang Medicine Co., Ltd. Xinchang Pharmaceutical Factory

  公开号：EP2149574B1

  公开（公告）日：2015-12-02
• N-[2-Chloro-9H-purin-6-yl]-N-cyclopropylglycylamino acids and derivatives: Synthesis, evaluation as a class of novel analgesics, and 3D QSAR analysis
  作者：Jinghua Zhao、Guifeng Kang、Wei Wang、Ming Zhao、Xiaoyi Zhang、Chunbo Lu、Wei Mao、Heng Wei Chang、Weidong Ye、Shiqi Peng

  DOI：10.1016/j.bmc.2009.07.035

  日期：2009.9.1

  Via a five-step-reaction procedure for the preparation of 19 known N-[2-chloro-9-(tetrahydropyran-2-yl)- 9H-purin-6-yl]-N-cyclopropylglycylamino acid benzylesters (6a-s) and successive removal of 9-(tetrahydropyran- 2-yl) and benzylester groups 19 novel N-[2-chloro-9H-purin-6-yl]-N-cyclopropylglycylamino acid benzylesters (7a-s) and 19 novel N-[2-chloro-9H-purin-6-yl]-N-cyclopropylglycylamino acids (8a-s) were provided. On tail-flick mouse model the in vivo analgesic activities of these 38 novel compounds were measured and most of them were defined as good analgesics. Based on Molecular Field Analysis of the pain threshold variations of the mice receiving 48 compounds in terms of the descriptors proton and methyl an equation was established. The data points (n), correlation coefficient (r), and square correlation coefficient (r(2)) of this equation were 48, 0.923, and 0.852, respectively. Using this equation pain threshold variations of 9 compounds were predicted and the errors ranged from 1.71 to 8.92. (C) 2009 Elsevier Ltd. All rights reserved.