1,6,6-trimethyl-3-(trifluoromethyl)-6,7-dihydro-1H-indazol-4(5H)-one | 1240041-14-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1,6,6-trimethyl-3-(trifluoromethyl)-6,7-dihydro-1H-indazol-4(5H)-one
• 英文别名: 1,6,6-Trimethyl-3-(trifluoromethyl)-5,7-dihydroindazol-4-one
• CAS: 1240041-14-8
• 化学式: C₁₁H₁₃F₃N₂O
• 分子量: 246.232
• InChiKey: BBDYTSDBTZQOFG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  17
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  34.9
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  在 甲酸 作用下， 生成 1,6,6-trimethyl-3-(trifluoromethyl)-6,7-dihydro-1H-indazol-4(5H)-one
  参考文献：
  名称：

  N-烷基-3-取代四氢吲唑酮的正交区域选择性合成

  摘要：

  从 Boc 保护的烷基肼 1 中实现了区域选择性和正交合成 N-烷基-3-取代四氢吲唑酮 3 和 4 的互补区域异构体的不同策略。通过合成 3 和 4 验证了该方法的稳健性和底物通用性1 分别与各种 2-酰基环己烷-1,3-二酮 2 和醛的分子内和分子间缩合。

  DOI：

  10.1002/ejoc.201000516

文献信息

• COMPOUNDS FOR THE TREATMENT OF HIV
  申请人：Bondy Steven S.

  公开号：US20140142085A1

  公开（公告）日：2014-05-22

  The invention provides compounds of formula (I): or a salt thereof as described herein. The invention also provides pharmaceutical compositions comprising a compound of formula (I), processes for preparing compounds of formula (I), intermediates useful for preparing compounds of formula I and therapeutic methods for treating a Retroviridae viral infection including an infection caused by the HIV virus.

  本发明提供了以下式子（I）的化合物或其盐，如本文所述。本发明还提供了包括式子（I）化合物的制药组合物，制备式子（I）化合物的方法，用于制备式子I化合物的中间体以及治疗逆转录病毒感染的治疗方法，包括由HIV病毒引起的感染。
• Targeted therapeutics
  申请人：Madrigal Pharmaceuticals, Inc.

  公开号：US10828315B2

  公开（公告）日：2020-11-10

  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：Chimmanamada Dinesh U.

  公开号：US20170056510A1

  公开（公告）日：2017-03-02

  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.
• US9540343B2
  申请人：——

  公开号：US9540343B2

  公开（公告）日：2017-01-10
• Orthogonal Regioselective Synthesis of N-Alkyl-3-substituted Tetrahydroindazolones
  作者：Jonghoon Kim、Heebum Song、Seung Bum Park

  DOI：10.1002/ejoc.201000516

  日期：——

  A divergent strategy for the regioselective and orthogonal synthesis of complementary regioisomers of N-alkyl-3-substituted-tetrahydroindazolones 3 and 4 was achieved from Boc-protected alkylhydrazines 1. The robustness and substrate generality of this method were validated by synthesizing 3 and 4 through the intra- and intermolecular condensation of 1 with various 2-acylcyclohexane-1,3-diones 2 and

  从 Boc 保护的烷基肼 1 中实现了区域选择性和正交合成 N-烷基-3-取代四氢吲唑酮 3 和 4 的互补区域异构体的不同策略。通过合成 3 和 4 验证了该方法的稳健性和底物通用性1 分别与各种 2-酰基环己烷-1,3-二酮 2 和醛的分子内和分子间缩合。