[3-[[5-[4-[5-[(3-Hydroxy-2-phenylpropanoyl)amino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]amino]-3-oxo-2-phenylpropyl] 3-morpholin-4-ylpropanoate | 1439391-96-4

• 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: [3-[[5-[4-[5-[(3-Hydroxy-2-phenylpropanoyl)amino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]amino]-3-oxo-2-phenylpropyl] 3-morpholin-4-ylpropanoate
• 英文别名: [3-[[5-[4-[5-[(3-hydroxy-2-phenylpropanoyl)amino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]amino]-3-oxo-2-phenylpropyl] 3-morpholin-4-ylpropanoate
• CAS: 1439391-96-4
• 化学式: C₃₃H₃₉N₇O₆S₂
• 分子量: 693.848
• InChiKey: IYARYUXVHHNPBI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  48
• 可旋转键数：
  18
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  225
• 氢给体数：
  3
• 氢受体数：
  13

反应信息

• 作为产物：
  描述：

  5,5'-(butane-1,4-diyl)bis(1,3,4-thiadiazol-2-amine) 在 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 sodium hydroxide 作用下， 以 四氢呋喃 、 N-甲基吡咯烷酮 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 12.17h， 生成 [3-[[5-[4-[5-[[3-(3-Morpholin-4-ylpropanoyloxy)-2-phenylpropanoyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]amino]-3-oxo-2-phenylpropyl] 3-morpholin-4-ylpropanoate 、 [3-[[5-[4-[5-[(3-Hydroxy-2-phenylpropanoyl)amino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]amino]-3-oxo-2-phenylpropyl] 3-morpholin-4-ylpropanoate
  参考文献：
  名称：

  [EN] HETEROCYCLIC INHIBITORS OF GLUTAMINASE
  [FR] INHIBITEURS HÉTÉROCYCLIQUES DE GLUTAMINASE

  摘要：

  本发明涉及式(I)定义的杂环化合物及其药物制剂。本发明进一步涉及使用本发明的杂环化合物治疗癌症、免疫性或神经疾病的方法。

  公开号：

  WO2013078123A1

文献信息

• HETEROCYCLIC INHIBITORS OF GLUTAMINASE
  申请人：Calithera Biosciences Inc.

  公开号：US20130157998A1

  公开（公告）日：2013-06-20

  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治疗的方法。
• 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。
• Treatment of lung cancer with inhibitors of glutaminase
  申请人：Calithera Biosciences, Inc.

  公开号：US10441587B2

  公开（公告）日：2019-10-15

  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.

  本发明涉及使用谷氨酰胺酶抑制剂治疗肺癌的方法。特别是，研究结果表明，以表皮生长因子受体（EGFR）或KRAS突变为特征的肺癌可通过谷氨酰胺酶抑制剂进行治疗。
• COMBINATION THERAPY WITH GLUTAMINASE INHIBITORS
  申请人：Parlati Francesco

  公开号：US20150258082A1

  公开（公告）日：2015-09-17

  The invention relates to methods of treating cancer, myeloproliferative disorders or immunological diseases with a combination of an immunomodulatory agent and a glutaminase inhibitor. The invention further relates to methods of treating cancer, myeloproliferative disorders, or immunological diseases that are resistant to one or more immunomodulatory agents.
• METHODS OF ADMINISTERING GLUTAMINASE INHIBITORS
  申请人：Calithera Biosciences, Inc.

  公开号：US20160287564A1

  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.