N-[(1E,3Z)-1,4-diamino-8-[2-[[2-[3-(2-aminopropan-2-yl)phenyl]acetyl]amino]-3-methyl-2H-1,3,4-thiadiazol-5-yl]octa-1,3-dienyl]-2-phenylacetamide

• 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-[(1E,3Z)-1,4-diamino-8-[2-[[2-[3-(2-aminopropan-2-yl)phenyl]acetyl]amino]-3-methyl-2H-1,3,4-thiadiazol-5-yl]octa-1,3-dienyl]-2-phenylacetamide
• 化学式: C₃₀H₄₁N₇O₂S
• 分子量: 563.8
• InChiKey: KIFWEAUOUIIPBZ-DRPBVWSQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  40
• 可旋转键数：
  13
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  177
• 氢给体数：
  5
• 氢受体数：
  8

文献信息

• [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.
• [EN] METHODS OF ADMINISTERING GLUTAMINASE INHIBITORS<br/>[FR] PROCÉDÉS D'ADMINISTRATION D'INHIBITEURS DE GLUTAMINASE
  申请人：CALITHERA BIOSCIENCES INC

  公开号：WO2016160980A1

  公开（公告）日：2016-10-06

  In some aspects, the invention relates to a method of treating cancer, a myeloproliferative disease, an immunological disease, a neurological disease, or a viral infection, comprising orally administering a compound of formula I, formula II, formula III, formula IV, formula V, and/or formula VI, wherein the compound is administered with a meal (e.g., with food as defined herein) or in fed mode.
• [EN] TREATMENT OF LUNG CANCER WITH INHIBITORS OF GLUTAMINASE<br/>[FR] TRAITEMENT DU CANCER DU POUMON AVEC DES INHIBITEURS DE GLUTAMINASE
  申请人：CALITHERA BIOSCIENCES INC

  公开号：WO2016164401A1

  公开（公告）日：2016-10-13

  The invention relates to methods of treating lung cancer using glutaminase inhibitors. In particular, results demonstrate that lung cancers characterized by an EGFR or KRAS mutation are treated by glutaminase inhibitors.