3-(4-(benzylthio)-1-oxoisoindolin-2-yl)piperidine-2,6-dione | 1609192-57-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异吲哚及其衍生物
• 英文名称: 3-(4-(benzylthio)-1-oxoisoindolin-2-yl)piperidine-2,6-dione
• 英文别名: (3S)-3-(7-benzylsulfanyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
• CAS: 1609192-57-5
• 化学式: C₂₀H₁₈N₂O₃S
• 分子量: 366.441
• InChiKey: AKCGNJSNWZEWFO-INIZCTEOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.74
• 重原子数：
  26.0
• 可旋转键数：
  4.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  66.48
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  (S)-来那度胺 、 氯化苄 在 2,2'-联吡啶 、 copper(ll) sulfate pentahydrate 、 sodium thiosulfate pentahydrate 、 亚硝酸特丁酯 作用下， 以 甲醇 、 水 为溶剂， 反应 6.67h， 以93%的产率得到3-(4-(benzylthio)-1-oxoisoindolin-2-yl)piperidine-2,6-dione
  参考文献：
  名称：

  A Highly Efficient Cu-Catalyzed S-Transfer Reaction: From Amine to Sulfide

  摘要：

  A highly efficient Cu-catalyzed dual C-S bonds formation reaction, proceeding in alcohol and water under air, is reported, in which inodorous stable Na2S2O3 is used as a sulfurating reagent. This powerful strategy provides a practical and efficient approach to construct thioethers, using readily available aromatic amines and alkyl halides as starting materials. Sensitive and synthetic useful functional groups could be tolerated. Furthermore, pharmaceuticals, glucose, an amino acid, and a chiral ligand are successfully furnished by this late-stage sulfuration strategy.

  DOI：

  10.1021/ol5009747

文献信息

• SULFUR-CONTAINING COMPOUND BASED ON GLUTARIMIDE SKELETON AND APPLICATION THEREOF
  申请人：ShanghaiTech University

  公开号：EP3932922A1

  公开（公告）日：2022-01-05

  The present disclosure relates to a compound of Formula (I) or a salt, a solvate, an isotopically enriched analog, a tautomer, a polymorph, a stereoisomer thereof, or a mixture of stereoisomers thereof, and their use for treating a tumor. The present disclosure also relates to a compound of Formula (I') or a pharmaceutically acceptable salt, a solvate, an isotopically enriched analog, a tautomer, a polymorph, a stereoisomer thereof, or a mixture of stereoisomers thereof, and their use for treating a tumor.

  本公开涉及一种式(I)化合物或其盐、溶解物、同位素富集类似物、同分异构体、多晶型、立体异构体或立体异构体混合物，以及它们治疗肿瘤的用途。本公开还涉及一种式（I'）化合物或其药学上可接受的盐、溶液剂、同位素富集类似物、同系物、多晶型、立体异构体或立体异构体混合物，以及它们治疗肿瘤的用途。