3-(2-(tert-butylamino)-2-oxo-1-(N-(3,4,5-trifluorobenzyl)formamido)ethyl)-6-chloro-1H-indole-2-carboxylic acid | 1356578-01-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 3-(2-(tert-butylamino)-2-oxo-1-(N-(3,4,5-trifluorobenzyl)formamido)ethyl)-6-chloro-1H-indole-2-carboxylic acid
• 英文别名: 3-[2-(tert-butylamino)-1-[formyl-[(3,4,5-trifluorophenyl)methyl]amino]-2-oxoethyl]-6-chloro-1H-indole-2-carboxylic acid
• CAS: 1356578-01-2
• 化学式: C₂₃H₂₁ClF₃N₃O₄
• 分子量: 495.886
• InChiKey: FZINKXKQKUDBDP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  34
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  103
• 氢给体数：
  3
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  3-(2-(tert-butylamino)-2-oxo-1-(N-(3,4,5-trifluorobenzyl)formamido)ethyl)-6-chloro-1H-indole-2-carboxylic acid 在 copper(l) iodide 、 四(三苯基膦)钯 、 三乙胺 、 N,N-二异丙基乙胺 、 N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 3.5h， 生成 3-(2-(tert-butylamino)-2-oxo-1-(N-(3,4,5-trifluorobenzyl)formamido)ethyl)-6-chloro-N-(4-(2-(2,6-dioxopiperidin-3-yl)-1-oxoisoindolin-4-yl)but-3-yn-1-yl)-1H-indole-2-carboxamide
  参考文献：
  名称：

  Development of MDM2 degraders based on ligands derived from Ugi reactions: Lessons and discoveries

  摘要：

  DOI：

  10.1016/j.ejmech.2021.113425

文献信息

• p53-Mdm2 ANTAGONISTS
  申请人：Doemling Alexander

  公开号：US20140005386A1

  公开（公告）日：2014-01-02

  Novel p53-Mdm2 antogonists that conform to Formula I or to Formula II: where the prescribed substituent groups are defined, are useful in treating or preventing cancer. In particular, the compounds and their pharmaceutical compositions are useful for treating relapsed/refractory acute myeloid and lymphoid leukemia and refractory chronic lymphocytic leukemia/small cell lymphocytic lymphomas.

  符合公式I或公式II的新型p53-Mdm2拮抗剂，其中所规定的取代基团，可用于治疗或预防癌症。特别地，这些化合物及其药物组合物对于治疗复发/难治性急性髓系和淋巴系白血病以及难治性慢性淋巴细胞白血病/小细胞淋巴瘤非常有用。
• (4-hydroxypyrrolidin-2-yl)-heterocyclic compounds and methods of use thereof
  申请人：Genentech, Inc.

  公开号：US11242344B2

  公开（公告）日：2022-02-08

  The present disclosure relates to bifunctional compounds, which can be used as modulators of targeted ubiquitination. In particular, the present disclosure is directed to compounds which contain on one end a VHL ligand moiety, which binds to the VHL E3 ubiquitin ligase, and on the other end a moiety that binds a target protein such that degradation of the target protein/polypeptide is effectuated. Also disclosed are VHL ligands.

  本公开涉及可用作靶向泛素化调节剂的双功能化合物。特别是，本公开涉及的化合物一端含有与 VHL E3 泛素连接酶结合的 VHL 配体分子，另一端含有与靶蛋白结合的分子，从而实现靶蛋白/多肽的降解。还公开了 VHL 配体。
• P53-MDM2 ANTAGONISTS
  申请人：University of Pittsburgh - Of The Commonwealth System of Higher Education

  公开号：EP2614051A2

  公开（公告）日：2013-07-17
• US9187441B2
  申请人：——

  公开号：US9187441B2

  公开（公告）日：2015-11-17
• [EN] P53-MDM2 ANTAGONISTS<br/>[FR] ANTAGONISTES DE P53-MDM2
  申请人：UNIV PITTSBURGH

  公开号：WO2012033525A2

  公开（公告）日：2012-03-15

  Novel p53-Mdm2 antagonists that conform to Formula I or to Formula II: where the prescribed substituent groups are defined, are useful in treating or preventing cancer. In particular, the compounds and their pharmaceutical compositions are useful for treating relapsed/refractory acute myeloid and lymphoid leukemia and refractory chronic lymphocytic leukemia/small cell lymphocytic lymphomas.