2-(3-fluoro-2-hydroxypropyl)isoindoline-1,3-dione | 719-88-0

• 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-(3-fluoro-2-hydroxypropyl)isoindoline-1,3-dione
• 英文别名: 2-(3-fluoro-2-hydroxypropyl)isoindole-1,3-dione
• CAS: 719-88-0
• 化学式: C₁₁H₁₀FNO₃
• 分子量: 223.204
• InChiKey: VJBZTCDUBWDGMQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  57.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-(3-fluoro-2-hydroxypropyl)isoindoline-1,3-dione 在 戴斯-马丁氧化剂 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 以91%的产率得到2-(3-fluoro-2-oxopropyl)-1H-isoindole-1,3(2H)-dione
  参考文献：
  名称：

  A straightforward and general access to α-phthalimido-α′-substituted propan-2-ones

  摘要：

  The regioselective ring opening of the commercially available N-(2,3-epoxypropyl)phthalimide with different nucleophiles, to obtain the corresponding phthalimidopropan-2-ols (including a challenging fluorohydrin) followed by the Dess-Martin periodinane oxidation, constitutes a general and widely applicable protocol for the preparation of differently functionalized alpha-phthalimido-alpha'-substituted propan-2-ones. The incorporation of the substituent in the alpha' position takes place in an early stage of the process, thus furnishing a divergent and valuable approach. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2012.07.045
• 作为产物：
  描述：

  N-(2,3-环氧丙基)邻苯二甲酰胺 在 硫酸氢铵 、 二氟化氢钾 、 18-冠醚-6 作用下， 以 甲苯 为溶剂， 反应 18.0h， 以78%的产率得到2-(3-fluoro-2-hydroxypropyl)isoindoline-1,3-dione
  参考文献：
  名称：

  A straightforward and general access to α-phthalimido-α′-substituted propan-2-ones

  摘要：

  The regioselective ring opening of the commercially available N-(2,3-epoxypropyl)phthalimide with different nucleophiles, to obtain the corresponding phthalimidopropan-2-ols (including a challenging fluorohydrin) followed by the Dess-Martin periodinane oxidation, constitutes a general and widely applicable protocol for the preparation of differently functionalized alpha-phthalimido-alpha'-substituted propan-2-ones. The incorporation of the substituent in the alpha' position takes place in an early stage of the process, thus furnishing a divergent and valuable approach. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2012.07.045

文献信息

• Development of Fragment-Based<i>n</i>-FABS NMR Screening Applied to the Membrane Enzyme FAAH
  作者：Chiara Lambruschini、Marina Veronesi、Elisa Romeo、Gianpiero Garau、Tiziano Bandiera、Daniele Piomelli、Rita Scarpelli、Claudio Dalvit

  DOI：10.1002/cbic.201300347

  日期：2013.9.2

  Fluorine for fragments: We demonstrate the first application of 19F NMR fragment‐based biochemical screening (n‐FABS) to the membrane protein fatty acid amide hydrolase (FAAH). Fragment hits were identified through this method that exhibit micromolar inhibitory values against FAAH, showing the potential for this method with other membrane protein applications. S: substrate, P: product.

  片段的氟：我们证明了基于19 F NMR片段的生化筛选（n -FABS）在膜蛋白脂肪酸酰胺水解酶（FAAH）上的首次应用。通过这种方法鉴定出的片段命中具有对FAAH的微摩尔抑制值，显示了该方法在其他膜蛋白应用中的潜力。S：底物，P：产品。
• Recherches sur la formation et la transformation de dérivés organiques du fluor II. Sur la synthèse et l'estérification d'amino-alcools fluorés
  作者：Emile Cherbuliez、A. Yazgi、J. Rabinowitz

  DOI：10.1002/hlca.19600430425

  日期：——

  The syntheses of monofluorinated amino-alcohols (with primary, secondary and tertiary amino groups and also with quaternary ammonium groups) and of their phosphoric and acetic esters are described.

  描述了单氟化氨基醇（具有伯，仲和叔氨基以及还具有季铵基）及其磷酸酯和酸性酯的合成。
• [EN] SUBSTITUTED PYRIDINES AND METHOD OF USE<br/>[FR] PYRIDINES SUBSTITUÉES ET MÉTHODE D'UTILISATION
  申请人：ABBVIE SARL

  公开号：WO2016193812A1

  公开（公告）日：2016-12-08

  The invention discloses compounds of Formula (I) wherein X, R1, R2, and R3 are as defined herein. The present invention relates to compounds and their use in the treatment of cystic fibrosis, methods for their production, pharmaceutical compositions comprising the same, and methods of treating cystic fibrosis by administering a compound of the invention.

  该发明公开了式（I）化合物，其中X、R1、R2和R3如本文所定义。本发明涉及化合物及其在囊性纤维化治疗中的应用，其生产方法，包含相同化合物的药物组合物，以及通过给予该发明的化合物来治疗囊性纤维化的方法。
• [EN] BICYCLIC HETEROCYCLIC COMPOUNDS AS INHIBITORS OFBCDIN3D ACTIVITY<br/>[FR] COMPOSÉS HÉTÉROCYCLIQUES BICYCLIQUES EN TANT QU'INHIBITEURS DE L'ACTIVITÉ DE BCDIN3D
  申请人：STORM THERAPEUTICS LTD

  公开号：WO2020254831A1

  公开（公告）日：2020-12-24

  The present invention relates to compounds that function as inhibitors and/or degraders of BCDIN3D activity. The present invention also relates to processes for the preparation of these compounds, to pharmaceutical compositions comprising them, and to their use in the treatment of proliferative disorders, such as cancer, as well as other diseases or conditions in which BCDIN3D activity is implicated.

  本发明涉及作为BCDIN3D活性抑制剂和/或降解剂的化合物。本发明还涉及制备这些化合物的方法，包括含有它们的药物组合物，以及它们在治疗增生性疾病，如癌症，以及其他BCDIN3D活性有所涉及的疾病或病况中的应用。
• Regioselectivity of the ring opening of propene oxides bearing electron-withdrawing substituents at the methyl group with Olah's reagent
  作者：Rolf Skupin、Günter Haufe

  DOI：10.1016/s0022-1139(98)00270-x

  日期：1998.11

  The regiochemistry of the hydrofluorination of terminal epoxides with Olah's reagent (Py·9HF) is dependent on the electron-withdrawing character of the β-substituents. Phenoxy ethers with different substitution patterns of the aromatic ring and several N-heterocycles were examined as β-substituents.

  Olah试剂（Py·9HF）对末端环氧化物进行氢氟化的区域化学反应取决于β取代基的吸电子特性。研究了具有不同取代模式的芳环和几个N杂环的苯氧基醚作为β取代基。