2-(2-oxoazepan-3-yl)isoindoline-1,3-dione | 13122-23-1

• 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: 2-(2-oxoazepan-3-yl)isoindoline-1,3-dione
• 英文别名: phthalimido-ε-caprolactam；2-(2-Oxoazepan-3-yl)isoindole-1,3-dione
• CAS: 13122-23-1
• 化学式: C₁₄H₁₄N₂O₃
• 分子量: 258.277
• InChiKey: ISUOMPZSLMJENM-UHFFFAOYSA-N

物化性质

• 沸点：
  497.4±38.0 °C(Predicted)
• 密度：
  1.338±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  19
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  66.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-(2-oxoazepan-3-yl)isoindoline-1,3-dione 在 hexachloroplatinic acid 、 sodium hydride 、 一水合肼 、 三乙胺 作用下， 以 乙醇 、 正己烷 、 二氯甲烷 、 二甲基亚砜 、 异丙醇 、 mineral oil 、 苯 为溶剂， 反应 16.0h， 生成 (+)-(S)-N-11-dimethylethoxyundecyl-(N-3,5-dinitrobenzoyl)-3-amino-ε-caprolactam
  参考文献：
  名称：

  Assessing chiral self-recognition using chiral stationary phases

  摘要：

  Chiral stationary phases were synthesized and their ability to separate racemic precursors from which they were derived was assessed. Taken in conjunction with homochiral recognition previously observed in the solid state, the results of this study reveal that a geometrically controlling pi-pi interaction has a profound influence on molecular recognition. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2011.06.103
• 作为产物：
  描述：

  苯酐 、 DL-氨基己内酰胺 在 三乙胺 作用下， 生成 2-(2-oxoazepan-3-yl)isoindoline-1,3-dione
  参考文献：
  名称：

  Assessing chiral self-recognition using chiral stationary phases

  摘要：

  Chiral stationary phases were synthesized and their ability to separate racemic precursors from which they were derived was assessed. Taken in conjunction with homochiral recognition previously observed in the solid state, the results of this study reveal that a geometrically controlling pi-pi interaction has a profound influence on molecular recognition. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2011.06.103

文献信息

• [EN] NEW CRBN MODULATORS<br/>[FR] NOUVEAUX MODULATEURS DU CRBN
  申请人：DANA FARBER CANCER INST INC

  公开号：WO2020006262A1

  公开（公告）日：2020-01-02

  Disclosed are degraders, pharmaceutical compositions containing them, and methods of making and using the degraders to treat diseases and disorders characterized by dysregulated or dysfunctional protein activity that can be targeted by cereblon.

  披露了降解剂，含有它们的药物组合物，以及制备和使用这些降解剂来治疗由可被 cereblon 靶向的蛋白质活性失调或功能失常所特征的疾病和紊乱的方法。
• NEW CRBN MODULATORS
  申请人：Dana Farber Cancer Institute, Inc.

  公开号：EP3813834A1

  公开（公告）日：2021-05-05
• Azepans and methods for making and using same
  申请人：Hangauer David G.

  公开号：US20080161556A1

  公开（公告）日：2008-07-03

  Disclosed are compounds having the formula: wherein Z 1 is an alkylene moiety; Q is a carboxylic acid derivative; and R 1 and R 2 are the same or different and are selected from the group consisting of alkyl, aryl, alkylcarbonyl, arylcarbonyl, hydroxycarbonyl, and alkoxycarbonyl or R 1 and R 2 , taken together with the nitrogen atom to which they are bound, form a ring. Also disclosed are compounds having the formula: wherein Z 1 is an alkylene moiety; Q is a carboxylic acid derivative; and R 13 is selected from the group consisting of alkyl and aryl. The compounds can be used to modulate cell proliferation and/or apoptosis, for example, in the treatment of cancers and other proliferative diseases, disorders, and conditions.
• US7968708B2
  申请人：——

  公开号：US7968708B2

  公开（公告）日：2011-06-28
• [EN] AZEPANS AND METHODS FOR MAKING AND USING SAME<br/>[FR] AZÉPANES ET PROCÉDÉS POUR LES FABRIQUER ET LES UTILISER
  申请人：UNIV NEW YORK STATE RES FOUND

  公开号：WO2008070161A1

  公开（公告）日：2008-06-12

  [EN] Disclosed are compounds having formula (I) wherein Z¹ is an alkylene moiety; Q is a carboxylic acid derivative; and R¹ and R² are the same or different and are selected from the group consisting of alkyl, aryl, alkylcarbonyl, arylcarbonyl, hydroxycarbonyl, and alkoxycarbonyl or R¹ and R², taken together with the nitrogen atom to which they are bound, form a ring. Also disclosed are compounds having formula (II) wherein Z¹ is an alkylene moiety; Q is a carboxylic acid derivative; and R¹³ is selected from the group consisting of alkyl and aryl. The compounds can be used to modulate cell proliferation and/or apoptosis, for example, in the treatment of cancers and other proliferative diseases, disorders, and conditions.
  [FR] L'invention concerne des composés de formule (I), dans laquelle Z¹ est un fragment d'alkylène ; Q est un produit dérivé d'acide carboxylique ; et R¹ et R² sont identiques ou différents et sont sélectionnés parmi le groupe constitué de l'alkyle, de l'aryle, de l'alkylcarbonyle, de l'arylcarbonyle, de l'hydroxycarbonyle, et de l'alcoxycarbonyle, ou R₁ et R₂, pris ensemble avec l'atome d'azote auquel ils sont liés, forment un cycle. Des composés de formule (II), dans laquelle Z¹ est un fragment d'alkylène ; Q est un produit dérivé d'acide carboxylique ; et R¹³ est sectionné parmi le groupe constitué de l'alkyle et de l'aryle, sont également décrits. Les composés peuvent être utilisés pour moduler une prolifération cellulaire et/ou une apoptose, par exemple dans le traitement du cancer ou d'autres maladies prolifératives, troubles, et problèmes.