7-甲基-[1,2,4]噻唑并[4,3-c]嘧啶 | 69141-72-6

• 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-甲基-[1,2,4]噻唑并[4,3-c]嘧啶
• 英文名称: 7-Methyl-s-triazolo<4,3-c>pyrimidin
• 英文别名: 7-methyl-[1,2,4]triazolo[4,3-c]pyrimidine；7-Methyl-[1,2,4]triazolo[4,3-c]pyrimidine
• CAS: 69141-72-6
• 化学式: C₆H₆N₄
• 分子量: 134.14
• InChiKey: OXKJOXHMEAWGNG-UHFFFAOYSA-N

物化性质

• 熔点：
  205-208 °C
• 密度：
  1.39±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  43.1
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 海关编码：
  2933990090

反应信息

• 作为反应物：
  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：
• 作为产物：
  描述：

  4-hydrazinyl-6-methylpyrimidine 、 原甲酸三乙酯 以43%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。
• HETEROCYCLIC COMPOUNDS AND USES THEREOF
  申请人：Infinity Pharmaceuticals, Inc.

  公开号：US20150225410A1

  公开（公告）日：2015-08-13

  Compounds and pharmaceutical compositions that modulate kinase activity, including PI3 kinase activity, and compounds, pharmaceutical compositions, and methods of treatment of diseases and conditions associated with kinase activity, including PI3 kinase activity, are described herein.

  本文描述了调节激酶活性（包括PI3激酶活性）的化合物和药物组合物，以及与激酶活性（包括PI3激酶活性）相关的疾病和病况的治疗方法、化合物和药物组合物。
• [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。
• Metabolites of triazolo[1,5-c]pyridines
  申请人：RIKER LABORATORIES, INCORPORATED

  公开号：EP0269774A1

  公开（公告）日：1988-06-08

  The present invention relates to metabolites of 2,5-diethyl-7-(4-thiomorpholino)-1,2,4-triazolo[1,5-c]­pyrimidine which are active as bronchodilators.

  本发明涉及具有支气管扩张剂活性的 2,5-二乙基-7-（4-硫代吗啉基）-1,2,4-三唑并[1,5-c]嘧啶的代谢物。
• NITROGENOUS HETEROCYCLIC COMPOUND, PREPARATION METHOD, INTERMEDIATE, COMPOSITION, AND APPLICATION
  申请人：Shanghai Pharmaceuticals Holding Co., Ltd.

  公开号：EP3677583A1

  公开（公告）日：2020-07-08

  A nitrogenous heterocyclic compound, a preparation method, an intermediate, a composition, and an application. The present invention provides a nitrogenous heterocyclic compound as represented by formula I, pharmaceutically acceptable salts thereof, enantiomers thereof, diastereoisomers thereof, tautomers thereof, solvates thereof, metabolites thereof, or prodrugs thereof. The compound has high inhibitory activity against ErbB2 tyrosine kinase, has good inhibitory activity against human breast cancer cells BT-474, human gastric cancer cells NCI-N87 and the like with high expression of ErbB2, and in addition has relatively weak inhibitory activity against EGFR kinase, that is, the compound is an EGFR/ErbB2 double target inhibitor that attenuates EGFR kinase inhibitory activity or a small-molecule inhibitor having selectivity for an ErbB2 target. (I)

  一种含氮杂环化合物、一种制备方法、一种中间体、一种组合物及一种应用。本发明提供了一种由式 I 代表的含氮杂环化合物、其药学上可接受的盐、其对映体、其非对映异构体、其同系物、其溶剂、其代谢物或其原药。该化合物对ErbB2酪氨酸激酶具有较高的抑制活性，对ErbB2高表达的人乳腺癌细胞BT-474、人胃癌细胞NCI-N87等具有良好的抑制活性，此外对表皮生长因子受体（EGFR）激酶的抑制活性相对较弱，即该化合物是一种减弱表皮生长因子受体（EGFR）激酶抑制活性的EGFR/ErbB2双靶点抑制剂或对ErbB2靶点具有选择性的小分子抑制剂。(I)