3-(benzyloxy)-3-methyl-1-butanol | 96556-33-1

• 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-(benzyloxy)-3-methyl-1-butanol
• 英文别名: 3-Methyl-3-(phenylmethoxy)-1-butanol；3-methyl-3-phenylmethoxybutan-1-ol
• CAS: 96556-33-1
• 化学式: C₁₂H₁₈O₂
• 分子量: 194.274
• InChiKey: QUISSQJYFJKUSE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  14
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  29.5
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-(benzyloxy)-3-methyl-1-butanol 在 lithium hydroxide monohydrate 、 无水氯化钙 作用下， 生成 O-(3-(benzyloxy)-3-methylbutyl)-N-((benzyloxy)carbonyl)-L-serine
  参考文献：
  名称：

  AMINO ACID HAVING FUNCTIONAL GROUP CAPABLE OF INTERMOLECULAR HYDROGEN BONDING, PEPTIDE COMPOUND CONTAINING SAME AND METHOD FOR PRODUCTION THEREOF

  摘要：

  It has been found that the membrane permeability of peptide compounds can be improved by making at least one of amino acids constituting the peptide compound be an amino acid having a side chain capable of forming an intramolecular hydrogen bond.

  公开号：

  US20230096766A1
• 作为产物：
  描述：

  4,4-二甲基-2-苯基-1,3-二恶烷 在 二异丁基氢化铝 作用下， 生成 3-(benzyloxy)-3-methyl-1-butanol
  参考文献：
  名称：

  AMINO ACID HAVING FUNCTIONAL GROUP CAPABLE OF INTERMOLECULAR HYDROGEN BONDING, PEPTIDE COMPOUND CONTAINING SAME AND METHOD FOR PRODUCTION THEREOF

  摘要：

  It has been found that the membrane permeability of peptide compounds can be improved by making at least one of amino acids constituting the peptide compound be an amino acid having a side chain capable of forming an intramolecular hydrogen bond.

  公开号：

  US20230096766A1

文献信息

• CYCLIC PEPTIDE COMPOUND HAVING HIGH MEMBRANE PERMEABILITY, AND LIBRARY CONTAINING SAME
  申请人：Chugai Seiyaku Kabushiki Kaisha

  公开号：EP3636807A1

  公开（公告）日：2020-04-15

  The present inventors have found that when screening for cyclic peptide compounds that can specifically bind to a target molecule, the use of a library including cyclic peptide compounds having a long side chain in the cyclic portion can improve the hit rate for cyclic peptide compounds that can specifically bind to the target molecule. Meanwhile, the present inventors have found that tryptophan and tyrosine residues, which have conventionally been used in oral low molecular-weight pharmaceuticals and are amino acid residues having an indole skeleton or a hydroxyphenyl group, are not suitable for peptides intended to attain high membrane permeability.

  本发明人发现，在筛选能与目标分子特异性结合的环肽化合物时，使用包括环状部分具有长侧链的环肽化合物库，可以提高能与目标分子特异性结合的环肽化合物的命中率。同时，本发明者发现色氨酸和酪氨酸残基不适合用于旨在获得高膜渗透性的肽，这两种残基通常用于口服低分子量药物，是具有吲哚骨架或羟基苯基的氨基酸残基。
• Neighboring group participation by oxygen in the solvolysis of acyclic .gamma.-alkoxy substituted p-toluenesulfonates
  作者：Ernest L. Eliel、Leigh Clawson、David E. Knox

  DOI：10.1021/jo00215a022

  日期：1985.7
• ANTHELMINTIC DEPSIPEPTIDE COMPOUNDS
  申请人：Boehringer Ingelheim Animal Health USA Inc.

  公开号：EP3298027B1

  公开（公告）日：2021-04-28
• COMPOSITION OF SCALABLE THYROINTEGRIN ANTAGONISTS WITH IMPROVED RETENTION IN TUMORS
  申请人：NanoPharmaceuticals, LLC

  公开号：US20210340111A1

  公开（公告）日：2021-11-04

  Chemical compounds/compositions, methods of synthesis, and methods of use. The compounds/compositions are directed toward thyrointegrin antagonists conjugated to a polymer. The compounds/compositions further comprise an additional substituent also conjugated to the polymer. The compounds/compositions demonstrate increased uptake across the blood brain barrier along with increased retention therein and retention within tumor. The compounds/compositions may also include improved synthesis scalability, improved purity, improved aqueous solubility, and a solid product or intermediate. The compounds/compositions may demonstrate improved antiangiogenic effect and improved efficacy against conditions, particularly cancers, requiring blood brain barrier permeability, for example, glioblastoma (GBM).
• [EN] AMINO ACID HAVING FUNCTIONAL GROUP CAPABLE OF INTERMOLECULAR HYDROGEN BONDING, PEPTIDE COMPOUND CONTAINING SAME AND METHOD FOR PRODUCTION THEREOF<br/>[FR] ACIDE AMINÉ AYANT UN GROUPE FONCTIONNEL CAPABLE DE FORMER UNE LIAISON HYDROGÈNE INTERMOLÉCULAIRE, COMPOSÉ PEPTIDIQUE LE CONTENANT ET SON PROCÉDÉ DE PRODUCTION<br/>[JA] 分子内水素結合可能な官能基を有するアミノ酸とそれらのアミノ酸を含むペプチド化合物、およびそれらの製造方法
  申请人：CHUGAI PHARMACEUTICAL CO LTD

  公开号：WO2020122182A1

  公开（公告）日：2020-06-18

  ペプチド化合物を構成するアミノ酸の少なくとも１つを分子内水素結合を形成し得る側鎖を有するアミノ酸とすることで、ペプチド化合物の膜透過性を改善できることを見出した。