N-[6-[4-[5-[[2-(1-oxidopyridin-1-ium-2-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N-[6-[4-[5-[[2-(1-oxidopyridin-1-ium-2-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide
• 化学式: C26H24F3N7O4S
• 分子量: 587.6
• InChiKey: CHJIGQAXIBKKKU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  41
• 可旋转键数：
  12
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  173
• 氢给体数：
  2
• 氢受体数：
  12

文献信息

• TREATMENT OF CANCER WITH HETEROCYCLIC INHIBITORS OF GLUTAMINASE
  申请人：Calithera Biosciences, Inc.

  公开号：US20150004134A1

  公开（公告）日：2015-01-01

  The invention relates to novel heterocyclic compounds and pharmaceutical preparations thereof. The invention further relates to methods of treating or preventing cancer using the novel heterocyclic compounds of the invention.

  本发明涉及新型杂环化合物及其制药制剂。本发明还涉及使用所述新型杂环化合物治疗或预防癌症的方法。
• HETEROCYCLIC GLUTAMINASE INHIBITORS
  申请人：CALITHERA BIOSCIENCES, INC.

  公开号：US20140194421A1

  公开（公告）日：2014-07-10

  The invention relates to novel heterocyclic compounds and pharmaceutical preparations thereof. The invention further relates to methods of treatment using the novel heterocyclic compounds of the invention.

  本发明涉及新型杂环化合物及其制药制剂。本发明还涉及使用所述新型杂环化合物的方法进行治疗。
• Heterocyclic glutaminase inhibitors
  申请人：Calithera Biosciences, Inc.

  公开号：US10793535B2

  公开（公告）日：2020-10-06

  The invention relates to novel heterocyclic compounds and pharmaceutical preparations thereof. The invention further relates to methods of treatment using the novel heterocyclic compounds of the invention.

  本发明涉及新型杂环化合物及其药物制剂。 本发明还涉及使用本发明的新型杂环化合物进行治疗的方法。
• COMBINATION THERAPY WITH GLUTAMINASE INHIBITORS
  申请人：Calithera Biosciences, Inc.

  公开号：US20200038398A1

  公开（公告）日：2020-02-06

  The invention relates to methods of treating cancer or myeloproliferative diseases with a combination of a glutaminase inhibitor and a second anticancer agent such as osimertinib, pazopanib, navitoclax, palbociclib, or olaparib. The invention further relates to methods of treating cancer or myeloproliferative diseases with a combination of a glutaminase inhibitor and conventional radiotherapy or stereotactic body radiotherapy.