2-(3-methylphenyl)-N-[6-[4-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]butyl]pyridazin-3-yl]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: 2-(3-methylphenyl)-N-[6-[4-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]butyl]pyridazin-3-yl]acetamide
• 化学式: C₂₆H₂₇N₇O₂S
• 分子量: 501.6
• InChiKey: RCFCAJWHRXCHRX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  36
• 可旋转键数：
  11
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  151
• 氢给体数：
  2
• 氢受体数：
  8

文献信息

• CRYSTAL FORMS OF GLUTAMINASE INHIBITORS
  申请人：Calithera Biosciences, Inc.

  公开号：US20170226101A1

  公开（公告）日：2017-08-10

  The invention relates to crystalline salts of a heterocyclic compound, methods of their preparation, and related pharmaceutical preparations thereof. The invention further relates to methods of treatment using the crystalline salts of the invention.

  本发明涉及一种杂环化合物的晶体盐、其制备方法以及相关的制药制剂。本发明还涉及使用所述晶体盐进行治疗的方法。
• 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。
• COMBINATION THERAPY WITH GLUTAMINASE INHIBITORS
  申请人：Calithera Biosciences, Inc.

  公开号：US20160022674A1

  公开（公告）日：2016-01-28

  The invention relates to methods of treating cancer, myeloproliferative diseases, or immunological or neurological diseases with a combination of a glutaminase inhibitor and an anticancer agent such as an enzyme inhibitor (such as a kinase inhibitor), a mitotic inhibitor, a DNA-modifying agent, or a cytidine analog. The invention further relates to methods of treating cancer, myeloproliferative diseases, or immunological or neurological diseases that are resistant to one or more anticancer 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.
• Treatment of Lung Cancer with Inhibitors of Glutaminase
  申请人：Calithera Biosciences, Inc.

  公开号：US20160287585A1

  公开（公告）日：2016-10-06

  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.