N-[6-[4-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]butyl]-1,2-dihydropyridazin-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-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]butyl]-1,2-dihydropyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide
• 化学式: C₂₆H₂₆F₃N₇O₃S
• 分子量: 573.6
• InChiKey: NYSKZMMZDJJEMW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  40
• 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：
  158
• 氢给体数：
  4
• 氢受体数：
  12

文献信息

• Crystal forms of glutaminase inhibitors
  申请人：Calithera Biosciences, Inc.

  公开号：US10676472B2

  公开（公告）日：2020-06-09

  The invention relates to crystalline salts of a compound having the structure of formula (I), methods for their preparation, and related pharmaceutical compositions comprising the crystalline salt. The invention further relates to methods of treating or preventing cancer or an immunological or neurological disease comprising administering a crystalline salt of the invention.

  本发明涉及具有式（I）结构的化合物的结晶盐、其制备方法以及包含该结晶盐的相关药物组合物。本发明进一步涉及治疗或预防癌症或免疫学或神经学疾病的方法，包括施用本发明的结晶盐。
• [EN] TREATMENT OF CANCER WITH HETEROCYCLIC INHIBITORS OF GLUTAMINASE<br/>[FR] TRAITEMENT DU CANCER AVEC DES INHIBITEURS HÉTÉROCYCLIQUES DE GLUTAMINASE
  申请人：CALITHERA BIOSCIENCES INC

  公开号：WO2014089048A1

  公开（公告）日：2014-06-12

  The invention relates to novel heterocyclic compounds and pharmaceutical preparations thereof and the methods of treating or preventing cancer using the compounds of the invention. Other aspects relate to methods of identifying a cancer patient that may benefit from treatment with a glutaminase inhibitor comprising determining the ratio of glutamate to glutamine, the ratio of glutaminase enzyme to glutamine synthetase or glutaminase activity in cancer cells of the patient.