7-氯-2-呋喃-2-基[1,2,4]噻唑并[1,5-c]嘧啶-5-胺 | 213896-64-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 三唑并嘧啶类
• 中文名称: 7-氯-2-呋喃-2-基[1,2,4]噻唑并[1,5-c]嘧啶-5-胺
• 英文名称: 7-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
• 英文别名: 5-Amino-7-chloro-2-(2-furyl)[1,2,4]triazolo[1,5-c]pyrimidine
• CAS: 213896-64-1
• 化学式: C₉H₆ClN₅O
• 分子量: 235.633
• InChiKey: ALFSSSOPSVBKPW-UHFFFAOYSA-N

物化性质

• 密度：
  1.81±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  82.2
• 氢给体数：
  1
• 氢受体数：
  5

安全信息

• 危险性防范说明：
  P261,P280,P301+P312,P302+P352,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335
• 储存条件：
  室温

反应信息

• 作为反应物：
  描述：

  7-氯-2-呋喃-2-基[1,2,4]噻唑并[1,5-c]嘧啶-5-胺 在 四(三苯基膦)钯 、 氯化亚砜 、 potassium carbonate 、 三乙胺 作用下， 以 二氯甲烷 、 乙腈 为溶剂， 生成 7-[3-(Chloromethyl)phenyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
  参考文献：
  名称：

  2-(2-Furanyl)-7-phenyl[1,2,4]triazolo[1,5-c]pyrimidin-5-amine analogs: Highly potent, orally active, adenosine A2A antagonists. Part 1

  摘要：

  The structure-activity relationship of this novel class of compounds based on 2-(2-furanyl)-7-phenyl[1,2,4]-triazolo[1,5-c]pyrimidin-5-amine, 1, and its analogs was evaluated for their in vitro and in vivo adenosine A(2A) receptor antagonism. Several compounds displayed oral activity at 3 mg/kg in a rat catalepsy model. Specifically, compound 8g displayed an excellent in vitro profile, as well as a highly promising in vivo profile. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.05.086
• 作为产物：
  描述：

  2-呋喃甲酰肼 在 N,O-双三甲硅基乙酰胺 作用下， 以 正丁醇 为溶剂， 生成 7-氯-2-呋喃-2-基[1,2,4]噻唑并[1,5-c]嘧啶-5-胺
  参考文献：
  名称：

  2-(2-Furanyl)-7-phenyl[1,2,4]triazolo[1,5-c]pyrimidin-5-amine analogs: Highly potent, orally active, adenosine A2A antagonists. Part 1

  摘要：

  The structure-activity relationship of this novel class of compounds based on 2-(2-furanyl)-7-phenyl[1,2,4]-triazolo[1,5-c]pyrimidin-5-amine, 1, and its analogs was evaluated for their in vitro and in vivo adenosine A(2A) receptor antagonism. Several compounds displayed oral activity at 3 mg/kg in a rat catalepsy model. Specifically, compound 8g displayed an excellent in vitro profile, as well as a highly promising in vivo profile. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.05.086

文献信息

• [EN] ADENOSINE 2 RECEPTOR ANTAGONISTS<br/>[FR] ANTAGONISTES DU RÉCEPTEUR DE L'ADÉNOSINE 2
  申请人：NEKTAR THERAPEUTICS

  公开号：WO2020227156A1

  公开（公告）日：2020-11-12

  The instant disclosure provides novel adenosine receptor antagonist compounds, compositions, methods of making and methods of using. In a further aspect, a method of treating a subject in need thereof, comprising administering a therapeutically effective amount of any one or more of the compounds described herein. In some embodiments, the subject has cancer and the method is a method of treating cancer.

  即时披露提供了新型腺苷受体拮抗剂化合物、组合物、制备方法和使用方法。在另一个方面，一种治疗需要的受试者的方法，包括向受试者施用本文描述的任何一个或多个化合物的治疗有效量。在某些实施例中，受试者患有癌症，该方法是一种治疗癌症的方法。
• [EN] SULFONAMIDE COMPOUNDS TARGETING CD73 AND ADENOSINE RECEPTORS<br/>[FR] COMPOSÉS DE SULFONAMIDE CIBLANT CD73 ET LES RÉCEPTEURS D'ADÉNOSINE
  申请人：AURIGENE DISCOVERY TECH LTD

  公开号：WO2021105916A1

  公开（公告）日：2021-06-03

  The present invention relates to bispecific compound of formula (I) as dual inhibitors of CD73 and adenosine receptors. The present invention also relates to pharmaceutical compositions comprising said compounds or a pharmaceutically acceptable salt or a stereoisomer or a prodrug thereof and use of such compounds in the treatment of diseases mediated by CD73 and/or adenosine receptors, particularly A2aR or A2bR.

  本发明涉及一种具有如下式(I)的双特异性化合物，作为CD73和腺苷受体的双重抑制剂。本发明还涉及包含所述化合物或其药用可接受盐或立体异构体或前药的药物组合物，以及在治疗由CD73和/或腺苷受体介导的疾病中使用这些化合物，特别是A2aR或A2bR。
• Triazolo[1,5-c]pyrimidines and pyrazolo[1,5-c]pyrimidines useful as a2a adenosine receptor antagonists
  申请人：Vu Chi

  公开号：US20070010522A1

  公开（公告）日：2007-01-11

  The invention is based on the discovery that compounds of formula (I) possess unexpectedly high affinity for the A2a adenosine receptor, and can be useful as antagonists thereof for preventing and/or treating numerous diseases, including Parkinson's disease. In one embodiment, the invention features a compound of formula (I).

  该发明基于发现，公式（I）化合物具有意外高的亲和力，可以作为A2a腺苷受体的拮抗剂，用于预防和/或治疗许多疾病，包括帕金森病。在一种实施例中，该发明涉及公式（I）的化合物。
• A2a adenosine receptor antagonists
  申请人：Peng Hairuo

  公开号：US20070173505A1

  公开（公告）日：2007-07-26

  The invention is based on the discovery that compounds of formula (I) possess unexpectedly high affinity for the A 2a adenosine receptor, and can be useful as antagonists thereof for preventing and/or treating numerous diseases, including Parkinson's disease. In one embodiment, the invention features a compound of formula (I).

  本发明基于发现，式（I）化合物具有意外的高亲和力，可用作A2a腺苷受体的拮抗剂，用于预防和/或治疗多种疾病，包括帕金森病。在一种实施例中，本发明涉及式（I）化合物。
• &lsqb;1,2,4&rsqb;triazolo&lsqb;1,5-c&rsqb;pyrimidine derivatives
  申请人：Kyowa Hakko Kogyo Co., Ltd.

  公开号：US06545000B1

  公开（公告）日：2003-04-08

  The present invention relates to [1,2,4]triazolo[1,5-c]pyrimidine compounds represented by formula (I): wherein na and nb independently represent an integer of 0 to 4 and Q represents a hydrogen atom or 3,4-dimethoxybenzyl, or salts thereof exhibit activity as adenosine A2A receptor antagonists.

  本发明涉及由式(I)表示的[1,2,4]三唑[1,5-c]嘧啶化合物，其中na和nb分别独立地表示0到4的整数，Q表示氢原子或3,4-二甲氧基苯甲基，或其盐，具有作为腺苷A2A受体拮抗剂的活性。