4-fluoro-N-methyl-N-(1-(4-(1-methyl-1H-pyrazol-5-yl)phthalazin-1-yl)piperidin-4-yl)-2-(trifluoromethyl)benzamide hydrochloride | 1258861-21-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 4-fluoro-N-methyl-N-(1-(4-(1-methyl-1H-pyrazol-5-yl)phthalazin-1-yl)piperidin-4-yl)-2-(trifluoromethyl)benzamide hydrochloride
• 英文别名: Taladegib hydrochloride；4-fluoro-N-methyl-N-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-2-(trifluoromethyl)benzamide;hydrochloride
• CAS: 1258861-21-0
• 化学式: C₂₆H₂₄F₄N₆O*(x)ClH
• 分子量: 549.0
• InChiKey: ZULPZIIPOBSSNQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.35
• 重原子数：
  38
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  67.2
• 氢给体数：
  1
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  LY 2940680; 4-氟-N-甲基-N-[1-[4-(1-甲基-1H-吡唑-5-基)-1-酞嗪基]-4-哌啶基]-2-(三氟甲基)苯甲酰胺 以92的产率得到4-fluoro-N-methyl-N-(1-(4-(1-methyl-1H-pyrazol-5-yl)phthalazin-1-yl)piperidin-4-yl)-2-(trifluoromethyl)benzamide hydrochloride
  参考文献：
  名称：

  Disubstituted phthalazine hedgehog pathway antagonists

  摘要：

  本发明提供了新型的1,4-二取代菲噻嗪刺猬途径拮抗剂，可用于治疗癌症。

  公开号：

  US08273742B2

文献信息

• DISUBSTITUTED PHTHALAZINE HEDGEHOG PATHWAY ANTAGONISTS
  申请人：Hipskind Philip Arthur

  公开号：US20100324048A1

  公开（公告）日：2010-12-23

  The present invention provides novel 1,4-disubstituted phthalazine hedgehog pathway antagonists useful in the treatment of cancer.

  本发明提供了一种新型的1,4-二取代邻苯二酮刺猬途径拮抗剂，可用于治疗癌症。
• [EN] DISUBSTITUTED PHTHALAZINE HEDGEHOG PATHWAY ANTAGONISTS<br/>[FR] ANTAGONISTES PHTALAZINE DISUBSTITUÉE DE LA VOIE HEDGEHOG
  申请人：LILLY CO ELI

  公开号：WO2010147917A1

  公开（公告）日：2010-12-23

  The present invention provides novel 1,4-disubstituted phthalazine of formula (I ) hedgehog pathway antagonists useful in the treatment of cancer.

  本发明提供了一种新型的1,4-二取代邻苯二酮(I)的刺猬通路拮抗剂，可用于癌症治疗。
• Targeted therapeutics
  申请人：Madrigal Pharmaceuticals, Inc.

  公开号：US10376598B2

  公开（公告）日：2019-08-13

  The present invention provides pharmacological compounds including an effector moiety conjugated to a binding moiety that directs the effector moiety to a biological target of interest. Likewise, the present invention provides compositions, kits, and methods (e.g., therapeutic, diagnostic, and imaging) including the compounds. The compounds can be described as a protein interacting binding moiety-drug conjugate (SDC-TRAP) compounds, which include a protein interacting binding moiety and an effector moiety. For example, in certain embodiments directed to treating cancer, the SDC-TRAP can include an Hsp90 inhibitor conjugated to a cytotoxic agent as the effector moiety.

  本发明提供的药理化合物包括与结合基团共轭的效应分子，该结合基团可将效应分子导向感兴趣的生物靶标。同样，本发明还提供了包括这些化合物的组合物、试剂盒和方法（如治疗、诊断和成像）。这些化合物可被描述为蛋白质相互作用结合分子-药物共轭物（SDC-TRAP）化合物，其中包括蛋白质相互作用结合分子和效应分子。例如，在某些用于治疗癌症的实施方案中，SDC-TRAP 可包括与细胞毒剂共轭的 Hsp90 抑制剂作为效应分子。
• TARGETED THERAPEUTICS
  申请人：Synta Pharmaceuticals Corp.

  公开号：US20160375142A1

  公开（公告）日：2016-12-29

  The present invention provides pharmacological compounds including an effector moiety conjugated to a binding moiety that directs the effector moiety to a biological target of interest. Likewise, the present invention provides compositions, kits, and methods (e.g., therapeutic, diagnostic, and imaging) including the compounds. The compounds can be described as a protein interacting binding moiety-drug conjugate (SDC-TRAP) compounds, which include a protein interacting binding moiety and an effector moiety. For example, in certain embodiments directed to treating cancer, the SDC-TRAP can include an Hsp90 inhibitor conjugated to a cytotoxic agent as the effector moiety.
• US8273742B2
  申请人：——

  公开号：US8273742B2

  公开（公告）日：2012-09-25