7-chloro-[3-(4-methoxybenzylamino)]-3H-[1,2,3]triazolo[4,5-d]pyrimidine | 869854-18-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 三唑并嘧啶类
• 英文名称: 7-chloro-[3-(4-methoxybenzylamino)]-3H-[1,2,3]triazolo[4,5-d]pyrimidine
• 英文别名: 7-chloro-3-(4-methoxybenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine；7-chloro-[3-(4-methoxybenzyl)]-3H-[1,2,3]triazolo[4,5-d]pyrimidine；7-chloro-3-p-methoxybenzyl-1,2,3-triazolo[4,5-d]pyrimidine；7-Chloro-3-[(4-methoxyphenyl)methyl]triazolo[4,5-d]pyrimidine
• CAS: 869854-18-2
• 化学式: C₁₂H₁₀ClN₅O
• 分子量: 275.697
• InChiKey: SHOSNIYMWFNTIT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  65.7
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  7-chloro-[3-(4-methoxybenzylamino)]-3H-[1,2,3]triazolo[4,5-d]pyrimidine 在 ammonium hydroxide 作用下， 以 1,4-二氧六环 、 水 为溶剂， 反应 5.0h， 以70%的产率得到3-[(4-Methoxyphenyl)methyl]triazolo[4,5-d]pyrimidin-7-amine
  参考文献：
  名称：

  [EN] CYCLIC DI-NUCLEOTIDE COMPOUNDS AND METHODS OF USE
  [FR] COMPOSÉS DI-NUCLÉOTIDES CYCLIQUES ET LEURS PROCÉDÉS D'UTILISATION

  摘要：

  揭示了环二核苷酸cGAMP类似物，合成这些化合物的方法，包括这些化合物的药物组合物，以及在医学治疗中使用这些化合物和组合物的用途。

  公开号：

  WO2017161349A1
• 作为产物：
  描述：

  6-chloro-N⁴-(4-methoxybenzyl)pyrimidine-4,5-diamine 在 溶剂黄146 、 sodium nitrite 作用下， 以 二氯甲烷 为溶剂， 反应 0.5h， 以81%的产率得到7-chloro-[3-(4-methoxybenzylamino)]-3H-[1,2,3]triazolo[4,5-d]pyrimidine
  参考文献：
  名称：

  Purine compounds

  摘要：

  这项发明提供了一种抗分枝杆菌的6-芳基-9-(m-或p-取代苄基)嘌呤和嘌呤类似化合物。

  公开号：

  US20070203159A1

文献信息

• BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND
  申请人：MITSUBISHI TANABE PHARMA CORPORATION

  公开号：US20190185479A1

  公开（公告）日：2019-06-20

  The present invention provides: a novel use of a specific bicyclic nitrogen-containing heterocyclic compound as a PDE7 inhibitor; a novel bicyclic nitrogen-containing heterocyclic compound having a PDE7 inhibitory effect, a method for producing the compound, a use of the compound, and a pharmaceutical composition containing the PDE7 inhibitor or the compound; and others. More specifically, the present invention provides a PDE7 inhibitor containing the compound represented by the formula (I): [wherein the symbols have the same meanings as those described in the description] or a pharmaceutically acceptable salt thereof as an active ingredient.

  本发明提供了：一种将特定的双环氮杂环化合物用作PDE7抑制剂的新用途；具有PDE7抑制作用的新型双环氮杂环化合物，一种制备该化合物的方法，该化合物的用途，以及含有PDE7抑制剂或该化合物的药物组合物；等等。更具体地，本发明提供了一种包含由下式（I）表示的化合物的PDE7抑制剂： [其中符号的含义与描述中所述的相同]或其药学上可接受的盐作为活性成分。
• Compounds containing a N-heteroaryl moiety linked to fused ring moieties for the inhibition of NAD(P)H oxidases and platelet activation
  申请人：Vasopharm Biotech GmbH

  公开号：EP1598354A1

  公开（公告）日：2005-11-23

  The invention relates to compounds containing a N-heteroaryl moiety, which is linked via oxygen, sulfur or nitrogen, or via a methylene bridge and oxygen, sulfur or nitrogen to a fused ring moiety, in particular to the 1,2,3-triazolo[4,5-d]pyrimidine-7-yl radical. The invention also relates to a process for the preparation of said compounds and the use thereof in drugs for the treatment of NAD(P)H oxidases-related diseases and disorders and inhibition of platelet activation.

  该发明涉及含有N-杂环芳基团的化合物，该化合物通过氧、硫或氮，或通过亚甲基桥和氧、硫或氮连接到融合环基团，特别是到1,2,3-三唑并[4,5-d]嘧啶-7-基自由基。该发明还涉及一种制备所述化合物的方法以及在治疗NAD(P)H氧化酶相关疾病和疾病以及抑制血小板活化的药物中的使用。
• Compounds Containing a N-Heteroaryl Moiety Linked to Fused Ring Moieties for the Inhibition of Nad(P)H Oxidases and Platelet Activation
  申请人：Tegtmeier Frank

  公开号：US20080044354A1

  公开（公告）日：2008-02-21

  The invention relates to compounds containing a N-heteroaryl moiety, which is linked via oxygen, sulfur or nitrogen, or via a methylene bridge and oxygen, sulfur or nitrogen to a fused ring moiety, in particular to the 1,2,3-triazolo[4,5d]pyrimidine-7-yl radical. The invention also relates to a process for the preparation of said compounds and the use thereof in drugs for the treatment of NAD(P)H oxidases-related diseases and disorders and inhibition of platelet activation.

  该发明涉及含有N-杂环芳基基团的化合物，该基团通过氧、硫或氮或通过亚甲基桥和氧、硫或氮连接到一个融合环基团上，特别是1,2,3-三唑并[4,5d]嘧啶-7-基自由基。该发明还涉及制备该化合物的方法以及在治疗NAD（P）H氧化酶相关疾病和障碍以及抑制血小板活化的药物中使用它们的用途。
• Synthesis of non-purine analogs of 6-aryl-9-benzylpurines, and their antimycobacterial activities. Compounds modified in the imidazole ring
  作者：Abhijit Datta Khoje、Aisvareya Kulendrn、Colin Charnock、Baojie Wan、Scott Franzblau、Lise-Lotte Gundersen

  DOI：10.1016/j.bmc.2010.08.016

  日期：2010.10.15

  Purine analogs modified in the five-membered ring have been synthesized and examined for antibacterial activity against Mycobacterium tuberculosis H(37)Rv in vitro employing the microplate alamar blue assay (MABA). The 9-deaza analogs were only found to be weak inhibitors, but the 8-aza-, 7-deaza- and 8-aza-7-deazapurine analogs studied displayed excellent antimycobacterial activities, some even substantially better than the parent purine. In the 7-deazapurine series, MIC values between 0.08 and 0.35 mu M, values comparable or better than the reference drugs used in the study (MIC rifampicin 0.09 mu M, MIC isoniazid 0.28 mu M and MIC PA-824 0.44 mu M). The five most active compounds were also examined against a panel of drug-resistant Mtb strain, and they all retained their activity. The compounds examined were significantly less active against M. tuberculosis in a state of non-replicating persistence (NRP). MIC in the low-oxygen-recovery assay (LORA) >= 60 mu M. The 7-deazapurines were somewhat more toxic towards mammalian cells, but still the selectivity indexes were excellent. The non-purine analogs exhibit a selective antimycobacterial activity. They were essentially inactive against Staphylococcus aureus and Escherichia coli. (C) 2010 Elsevier Ltd. All rights reserved.
• EP1756113B1
  申请人：——

  公开号：EP1756113B1

  公开（公告）日：2014-05-07