6-chloro-1H-pyrazolo[4,3-c]pyridazine | 2097611-04-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 6-chloro-1H-pyrazolo[4,3-c]pyridazine
• CAS: 2097611-04-4
• 化学式: C₅H₃ClN₄
• 分子量: 154.559
• InChiKey: QXTAYLYLGNMKIF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.01
• 重原子数：
  10.0
• 可旋转键数：
  0.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  54.46
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  6-chloro-1H-pyrazolo[4,3-c]pyridazine 在 N-氯代丁二酰亚胺 、 potassium carbonate 、 溶剂黄146 、 2,4,6-三甲基苯胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 2.0h， 生成 3,6-Dichloro-1-methylpyrazolo[4,3-c]pyridazine
  参考文献：
  名称：

  [EN] HETEROARYL COMPOUNDS FOR THE TREATMENT OF CANCER
  [FR] COMPOSÉS HÉTÉROARYLE POUR LE TRAITEMENT DU CANCER

  摘要：

  The present invention relates to compounds of formula (I), wherein A1to A7and W are as described herein, and their pharmaceutically acceptable salt thereof, and compositions including the compounds and methods of using the compounds.

  公开号：

  WO2024033454A1
• 作为产物：
  描述：

  methyl 6-chloro-4-hydrazinopyridazine-3-carboxylate 在 二异丁基氢化铝 作用下， 以 二氯甲烷 、 甲苯 为溶剂， 反应 16.0h， 以61%的产率得到6-chloro-1H-pyrazolo[4,3-c]pyridazine
  参考文献：
  名称：

  Discovery of 5-Azaindazole (GNE-955) as a Potent Pan-Pim Inhibitor with Optimized Bioavailability

  摘要：

  Pim kinases have been identified as promising therapeutic targets for hematologic-oncology indications, including multiple myeloma and certain leukemia. Here, we describe our continued efforts in optimizing a lead series by improving bioavailability while maintaining high inhibitory potency against all three Pim kinase isoforms. The discovery of extensive intestinal metabolism and major metabolites helped refine our design strategy, and we observed that optimizing the pharmacokinetic properties first and potency second was a more successful approach than the reverse. In the resulting work, novel analogs such as 20 (GNE-955) were discovered bearing 5-azaindazole core with noncanonical hydrogen bonding to the hinge.

  DOI：

  10.1021/acs.jmedchem.7b00418

文献信息

• [EN] SMALL MOLECULE INHIBITORS OF UBIQUITIN SPECIFIC PROTEASE 1 (USP1) AND USES THEREOF<br/>[FR] INHIBITEURS À PETITES MOLÉCULES DE LA PROTÉASE 1 SPÉCIFIQUE DE L'UBIQUITINE (USP1) ET LEURS UTILISATIONS
  申请人：[en]INSILICO MEDICINE IP LIMITED

  公开号：WO2023083285A1

  公开（公告）日：2023-05-19

  Provided herein are small molecules inhibitory compounds of ubiquitin specific protease 1 (USP1) and compositions comprising the same. Further provided herein are methods for targeting ubiquitin specific protease 1 (USP1) and methods of treating diseases or disorders related to USP1, such as cancer.