(3-Bromo-2-fluoro-5-methylphenyl)methanol | 307975-05-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (3-Bromo-2-fluoro-5-methylphenyl)methanol
• 英文别名: (3-bromo-2-fluoro-5-methylphenyl)methanol
• CAS: 307975-05-9
• 化学式: C₈H₈BrFO
• 分子量: 219.053
• InChiKey: ABZHOJSLEZVRGF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (3-Bromo-2-fluoro-5-methylphenyl)methanol 在 四溴化碳 、 sodium hydride 、 三苯基膦 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成
  参考文献：
  名称：

  Discovery of selective metal-binding peptoids using 19F encoded combinatorial libraries

  摘要：

  A method for encoding solid-phase split/mix combinatorial libraries using the chemical shift of synthetic fluoroarenes ('F-codes') has been developed. They have wide chemical shift dispersion and are detectable at the sub-mu mol level. F-19 NMR is used for decoding. Nine fluoroarenes bearing linkers for attachment to solid-phase synthesis supports through a photocleavable group were prepared. A library of 90 N-alkylglycines bearings substituted succinamides was prepared on solid phase from nine amines, in which the amine is encoded by the fluorinated tag, and 10 anhydrides. Metal binding studies followed by decoding identified unique, specific binders of copper(II) and iron(III) with mu M K(D)s. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00416-9
• 作为产物：
  描述：

  3-溴-4-氟甲苯 在 lithium aluminium tetrahydride 、 正丁基锂 作用下， 生成 (3-Bromo-2-fluoro-5-methylphenyl)methanol
  参考文献：
  名称：

  Discovery of selective metal-binding peptoids using 19F encoded combinatorial libraries

  摘要：

  A method for encoding solid-phase split/mix combinatorial libraries using the chemical shift of synthetic fluoroarenes ('F-codes') has been developed. They have wide chemical shift dispersion and are detectable at the sub-mu mol level. F-19 NMR is used for decoding. Nine fluoroarenes bearing linkers for attachment to solid-phase synthesis supports through a photocleavable group were prepared. A library of 90 N-alkylglycines bearings substituted succinamides was prepared on solid phase from nine amines, in which the amine is encoded by the fluorinated tag, and 10 anhydrides. Metal binding studies followed by decoding identified unique, specific binders of copper(II) and iron(III) with mu M K(D)s. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00416-9

文献信息

• [EN] HETEROCYCLIC INHIBITORS OF MONOCARBOXYLATE TRANSPORTERS<br/>[FR] INHIBITEURS HÉTÉROCYCLIQUES DE TRANSPORTEURS DE MONOCARBOXYLATE
  申请人：SCRIPPS RESEARCH INST

  公开号：WO2016118825A1

  公开（公告）日：2016-07-28

  The invention provides compounds that inhibit monocarboxylate transporters, such as MCT1 and MCT4. Compounds of the invention can be used for treatment of a condition in a patient, wherein the condition is characterized by the heightened activity or by the high prevalence of MCT1 and/or MCT4, such as cancer or type II diabetes.

  该发明提供了抑制单羧酸转运蛋白（如MCT1和MCT4）的化合物。该发明的化合物可用于治疗患者的某种疾病，其中该疾病的特征是MCT1和/或MCT4的活性增强或高度普遍，例如癌症或2型糖尿病。
• Heterocyclic inhibitors of monocarboxylate transporter
  申请人：THE SCRIPPS RESEARCH INSTITUTE

  公开号：US10329303B2

  公开（公告）日：2019-06-25

  The invention provides compounds that inhibit monocarboxylate transporters, such as MCT1 and MCT4. Compounds of the invention can be used for treatment of a condition in a patient, wherein the condition is characterized by the heightened activity or by the high prevalence of MCT1 and/or MCT4, such as cancer or type II diabetes.

  本发明提供了抑制单羧酸盐转运体（如 MCT1 和 MCT4）的化合物。本发明的化合物可用于治疗患者的某种病症，其中该病症的特征是 MCT1 和/或 MCT4 的活性增强或患病率高，如癌症或 II 型糖尿病。
• Heterocyclic inhibitors of monocarboxylate transporters
  申请人：The Scripps Research Institute

  公开号：US10851113B2

  公开（公告）日：2020-12-01

  The invention provides heterocyclic compounds of formula A, B, and C as described herein that inhibit monocarboxylate transporters, such as MCT1 and MCT4. Compounds of the invention can be used for treatment of a condition in a patient, wherein the condition is characterized by the heightened activity or by the high prevalence of MCT1 and/or MCT4, such as cancer or type II diabetes.

  本发明提供了式 A、B 和 C 所述的杂环化合物，可抑制单羧酸盐转运体，如 MCT1 和 MCT4。本发明的化合物可用于治疗患者的病症，其中病症的特征是 MCT1 和/或 MCT4 的活性增强或患病率高，如癌症或 II 型糖尿病。
• HETEROCYCLIC INHIBITORS OF MONOCARBOXYLATE TRANSPORTERS
  申请人：The Scripps Research Institute

  公开号：EP3247360A1

  公开（公告）日：2017-11-29
• Discovery of selective metal-binding peptoids using 19F encoded combinatorial libraries
  作者：Michael C Pirrung、Kaapjoo Park

  DOI：10.1016/s0960-894x(00)00416-9

  日期：2000.9

  A method for encoding solid-phase split/mix combinatorial libraries using the chemical shift of synthetic fluoroarenes ('F-codes') has been developed. They have wide chemical shift dispersion and are detectable at the sub-mu mol level. F-19 NMR is used for decoding. Nine fluoroarenes bearing linkers for attachment to solid-phase synthesis supports through a photocleavable group were prepared. A library of 90 N-alkylglycines bearings substituted succinamides was prepared on solid phase from nine amines, in which the amine is encoded by the fluorinated tag, and 10 anhydrides. Metal binding studies followed by decoding identified unique, specific binders of copper(II) and iron(III) with mu M K(D)s. (C) 2000 Elsevier Science Ltd. All rights reserved.