4-甲基-1,3,7,9-四氮杂双环[4.3.0]壬-2,4,6,8-四烯物 | 69141-73-7

• 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: 4-甲基-1,3,7,9-四氮杂双环[4.3.0]壬-2,4,6,8-四烯物
• 英文名称: 7-Methyl-s-triazolo<1,5-c>pyrimidin
• 英文别名: 7-methyl-[1,2,4]triazolo[1,5-c]pyrimidine；7-Methyl-[1,2,4]triazolo[1,5-c]pyrimidine
• CAS: 69141-73-7
• 化学式: C₆H₆N₄
• mdl: MFCD11044709
• 分子量: 134.14
• InChiKey: TYJLNLYMINXCRQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.166
• 拓扑面积：
  43.1
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  7-甲基-[1,2,4]噻唑并[4,3-c]嘧啶 以65%的产率得到
  参考文献：
  名称：

  BROWN D. J.; NAGAMATSU T., AUSTRAL. J. CHEM., 1978, 31, NO 11, 2505-2515

  摘要：

  DOI：

文献信息

• NITROGENOUS HETEROCYCLIC COMPOUND, PREPARATION METHOD, INTERMEDIATE, COMPOSITION AND USE
  申请人：Shanghai Pharmaceuticals Holding Co., Ltd.

  公开号：EP3424928A1

  公开（公告）日：2019-01-09

  Disclosed are a nitrogenous heterocyclic compound, intermediates, a preparation method, a composition and use thereof. The nitrogenous heterocyclic compound in the present invention is as shown in formula I. The compound has a high inhibitory activity towards ErbB2 tyrosine kinase and a relatively good inhibitory activity towards human breast cancer BT-474 and human gastric cancer cell NCI-N87 which express ErbB2 at a high level, and at the same time has a relatively weak inhibitory activity towards EGFR kinase. Namely, the compound is a highly selective small-molecule inhibitor targeted at ErbB2, and hence it has a high degree of safety, and can effectively enlarge the safety window in the process of taking the drug.

  本公开揭示了一种含氮杂环化合物、中间体、制备方法、组合物及其用途。本发明中的含氮杂环化合物如公式I所示。该化合物对ErbB2酪氨酸激酶具有较高的抑制活性，并且对人类乳腺癌BT-474和人类胃癌细胞NCI-N87表达ErbB2的抑制活性相对较好，同时对EGFR激酶具有相对较弱的抑制活性。换句话说，该化合物是一种高度选择性的针对ErbB2的小分子抑制剂，因此具有很高的安全度，并且可以有效地扩大服药过程中的安全窗口。
• [EN] INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1<br/>[FR] INHIBITEUR DE LA DÉMÉTHYLASE-1 SPÉCIFIQUE DE LA LYSINE
  申请人：QUANTICEL PHARMACEUTICALS INC

  公开号：WO2015089192A1

  公开（公告）日：2015-06-18

  The present invention relates generally to compositions and methods for treating cancer and neoplastic disease. Provided herein are substituted heterocyclic derivative compounds and pharmaceutical compositions comprising said compounds. The subject compounds and compositions are useful for inhibition of lysine specific demethylase-1. Furthermore, the subject compounds and compositions are useful for the treatment of cancer, such as prostate cancer, breast cancer, bladder cancer, lung cancer and/or melanoma and the like.

  本发明一般涉及治疗癌症和肿瘤性疾病的组合物和方法。本文提供了替代杂环衍生物化合物和包含该化合物的药物组合物。所述化合物和组合物对于抑制赖氨酸特异性去甲基化酶-1是有用的。此外，所述化合物和组合物对于治疗癌症，如前列腺癌、乳腺癌、膀胱癌、肺癌和/或黑色素瘤等是有用的。
• [EN] LACTAM (HETERO)ARYLFUSEDPYRIMIDINE DERIVATIVES AS INHIBITORS OF ERBB2<br/>[FR] DÉRIVÉS DE PYRIMIDINE À FUSION HÉTÉROARYLE LACTAME SERVANT D'INHIBITEURS D'ERBB2
  申请人：ENLIVEN THERAPEUTICS INC

  公开号：WO2022140769A1

  公开（公告）日：2022-06-30

  The present disclosure relates generally to compounds and compositions thereof for inhibition of ErbB2, including mutant forms of ErbB2, particularly those harboring an Exon 20 mutation, methods of preparing said compounds and compositions, and their use in the treatment or prophylaxis of various cancers, such as lung, glioma, skin, head neck, salivary gland, breast, esophageal, liver, stomach (gastric), uterine, cervical, biliary tract, pancreatic, colorectal, renal, bladder or prostate cancer.

  本公开涉及抑制ErbB2的化合物及其组合物，包括突变形式的ErbB2，特别是那些携带Exon 20突变的形式，制备这些化合物和组合物的方法，以及它们在治疗或预防各种癌症方面的用途，如肺癌、胶质瘤、皮肤癌、头颈癌、唾液腺癌、乳腺癌、食管癌、肝癌、胃癌、子宫癌、宫颈癌、胆道癌、胰腺癌、结肠直肠癌、肾癌、膀胱癌或前列腺癌。
• IMIDAZO-PYRIMIDINES AND TRIAZOLO-PYRIMIDINES: BENZODIAZEPINE RECEPTOR LIGANDS
  申请人：NEUROGEN CORPORATION

  公开号：EP1880998A1

  公开（公告）日：2008-01-23

  Compounds of Formula I are provided, as are methods for their preparation. The variables Z1, Z2, Z3, R4, R5, R6, R7, R8 and Ar in the above formula are defined herein. Such compounds may be used to modulate ligand binding to GABAA receptors in vivo or in vitro, and are particularly useful in the treatment of a variety of central nervous system (CNS) disorders in humans, domesticated companion animals and livestock animals. Compounds provided herein may be administered alone or in combination with one or more other CNS agents to potentiate the effects of the other CNS agent(s). Pharmaceutical compositions and methods for treating such disorders are provided, as are methods for using such ligands for detecting GABAA receptors (e.g., receptor localization studies).

  式 I 的化合物 提供了式 I 化合物及其制备方法。上式中的变量 Z1、Z2、Z3、R4、R5、R6、R7、R8 和 Ar 在此定义。此类化合物可用于调节配体与体内或体外 GABAA 受体的结合，尤其适用于治疗人类、驯养的伴侣动物和家畜的各种中枢神经系统（CNS）疾病。本文提供的化合物可单独施用，也可与一种或多种其他中枢神经系统制剂联合施用，以增强其他中枢神经系统制剂的效果。本文提供了治疗此类疾病的药物组合物和方法，以及使用此类配体检测 GABAA 受体（如受体定位研究）的方法。
• [EN] PYRIDAZINOL COMPOUND, DERIVATIVE THEREOF, PREPARATION METHOD THEREFOR, HERBICIDAL COMPOSITION AND USE THEREOF<br/>[FR] COMPOSÉ DE PYRIDAZINOL, DÉRIVÉ DE CELUI-CI, SON PROCÉDÉ DE PRÉPARATION, COMPOSITION HERBICIDE ET SON UTILISATION<br/>[ZH] 哒嗪醇类化合物及其衍生物、制备方法、除草组合物和应用
  申请人：QINGDAO KINGAGROOT CHEMICAL COMPOUND CO LTD

  公开号：WO2019149260A1

  公开（公告）日：2019-08-08

  本发明属于农药技术领域，具体公开了一种如通式I所示的哒嗪醇类化合物、其衍生物、制备方法、除草组合物和应用。所述化合物及其衍生物、除草组合物的具有非常高的除草活性且对作物安全、选择性好，(式I)。