Methyl 2-(3-butoxyphenyl)acetate | 1220026-97-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: Methyl 2-(3-butoxyphenyl)acetate
• CAS: 1220026-97-0
• 化学式: C₁₃H₁₈O₃
• 分子量: 222.284
• InChiKey: XYGDJAZAUYFUQC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  16
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  Methyl 2-(3-butoxyphenyl)acetate 在 sodium hydroxide 、 水 、 O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate 、 N,N-二异丙基乙胺 作用下， 以 DMF (N,N-dimethyl-formamide) 、 乙醇 为溶剂， 反应 16.0h， 生成 ethyl 3-(2-(3-butoxyphenyl)acetamido)-2-(3,4-dimethoxyphenyl)propanoate
  参考文献：
  名称：

  [EN] ISOQUINOLINE DERIVATIVES AND THEIR USE AS GFAT INHIBITORS
  [FR] INHIBITEURS DE LA GFAT

  摘要：

  公开号：

  WO2004101528A3
• 作为产物：
  描述：

  3-羟基苯乙酸 在 potassium carbonate 、 乙酰氯 作用下， 以 DMF (N,N-dimethyl-formamide) 为溶剂， 反应 15.0h， 生成 Methyl 2-(3-butoxyphenyl)acetate
  参考文献：
  名称：

  [EN] ISOQUINOLINE DERIVATIVES AND THEIR USE AS GFAT INHIBITORS
  [FR] INHIBITEURS DE LA GFAT

  摘要：

  公开号：

  WO2004101528A3

文献信息

• [EN] CARBOXYLIC ACID-CONTAINING COMPOUNDS, DERIVATIVES THEREOF, AND RELATED METHODS OF USE<br/>[FR] COMPOSÉS CONTENANT DE L'ACIDE CARBOXYLIQUE, LEURS DÉRIVÉS ET PROCÉDÉS D'UTILISATION ASSOCIÉS
  申请人：BIOGEN IDEC INC

  公开号：WO2010138901A1

  公开（公告）日：2010-12-02

  Compounds that modulate gamma secretase (e.g., alter the cleavage pattern of gamma secretase) are described herein. Also disclosed are pharmaceutical compositions, methods of modulating the activity of gamma secretase, and methods of treating Alzheimer's Disease using the compounds described herein.

  本文件描述了调节γ-分泌酶（例如，改变γ-分泌酶的切割模式）的化合物。还公开了包含这些化合物的药物组合物、调节γ-分泌酶活性的方法，以及使用本文件描述的化合物治疗阿尔茨海默病的方法。
• NOVEL CARBAMATE AMINO ACID AND PEPTIDE PRODRUGS OF OPIOIDS AND USES THEREOF
  申请人：Franklin Richard

  公开号：US20110015182A1

  公开（公告）日：2011-01-20

  Carbamate linked prodrugs of meptazinol and other opioid analgesics are provided. The prodrug moiety may comprise a single amino acid or short peptide. Additionally, the present invention relates to methods for reducing gastrointestinal side effects in a subject, the gastrointestinal side effects being associated with the administration of an opioid analgesic. The methods comprise orally administering an opioid prodrug or pharmaceutically acceptable salt thereof to a subject, wherein the opioid prodrug is comprised of an opioid analgesic covalently bonded through a carbamate linkage to a prodrug moiety, and wherein upon oral administration, the prodrug or pharmaceutically acceptable salt minimizes at least one gastrointestinal side effect associated with oral administration of the opioid analgesic alone. Compositions for use with the method are also provided.

  本发明提供了与咪哌唑酮和其他阿片类镇痛剂相关的氨基甲酸酯前药。前药基团可以包括单个氨基酸或短肽。此外，本发明涉及减少受试者胃肠道副作用的方法，其中胃肠道副作用与阿片类镇痛剂的给药有关。该方法包括口服给受试者阿片类前药或其药学上可接受的盐，其中阿片类前药由阿片类镇痛剂通过氨基甲酸酯键共价结合到前药基团上，且在口服给药时，前药或药学上可接受的盐至少减少与单独口服阿片类镇痛剂有关的一个胃肠道副作用。本发明还提供了用于该方法的组合物。
• NOVEL DICARBOXYLIC ACID LINKED AMINO ACID AND PEPTIDE PRODRUGS OF OPIOIDS AND USES THEREOF
  申请人：Franklin Richard

  公开号：US20100286186A1

  公开（公告）日：2010-11-11

  The present invention concerns dicarboxylic acid linked amino acid and peptide prodrugs of opioid analgesics and pharmaceutical compositions containing such prodrugs. Methods for providing pain relief, decreasing the adverse GI side effects of the opioid analgesic and increasing the bioavailability of the opioid analgesic with the aforementioned prodrugs are also provided. In one embodiment, prodrugs having the amino acid side chains of valine, leucine, isoleucine and glycine; and mono-, di- and tripeptides thereof are provided.
• NOVEL CARBAMATE AMINO ACID AND PEPTIDE PRODRUGS OF OPIATES AND USES THEREOF
  申请人：Franklin Richard

  公开号：US20120270847A1

  公开（公告）日：2012-10-25

  Carbamate linked prodrugs of meptazinol and other opioid analgesics are provided. The prodrug moiety may comprise a single amino acid or short peptide. Additionally, the present invention relates to methods for reducing gastrointestinal side effects in a subject, the gastrointestinal side effects being associated with the administration of an opioid analgesic. The methods comprise orally administering an opioid prodrug or pharmaceutically acceptable salt thereof to a subject, wherein the opioid pro-drug is comprised of an opioid analgesic covalently bonded through a carbamate linkage to a prodrug moiety, and wherein upon oral administration, the prodrug or pharmaceutically acceptable salt minimizes at least one gastrointestinal side effect associated with oral administration of the opioid analgesic alone. Compositions for use with the method are also provided.
• COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF BROMODOMAIN-CONTAINING PROTEINS
  申请人：Arvinas, Inc.

  公开号：US20170065719A1

  公开（公告）日：2017-03-09

  The present invention relates to bifunctional compounds, which find utility as modulators of targeted ubiquitination, especially inhibitors of a variety of polypeptides and other proteins which are degraded and/or otherwise inhibited by bifunctional compounds according to the present invention. In particular, the present invention is directed to compounds, which contain on one end a VHL ligand which binds to the ubiquitin ligase and on the other end a moiety which binds a target protein such that the target protein is placed in proximity to the ubiquitin ligase to effect degradation (and inhibition) of that protein. The present invention exhibits a broad range of pharmacological activities associated with compounds according to the present invention, consistent with the degradation/inhibition of targeted polypeptides.