(1S,3R,4R,6R,7S,8R,10S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-ethylsulfanyl-1,10-dimethoxy-2,5,9-trioxatricyclo[8.4.0.03,8]tetradecan-7-ol | 171192-29-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (1S,3R,4R,6R,7S,8R,10S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-ethylsulfanyl-1,10-dimethoxy-2,5,9-trioxatricyclo[8.4.0.03,8]tetradecan-7-ol
• CAS: 171192-29-3
• 化学式: C₃₂H₄₆O₇SSi
• 分子量: 602.865
• InChiKey: YHZLCDHNZVGJGA-JVRYYSMWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.45
• 重原子数：
  41
• 可旋转键数：
  10
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  101
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  (1S,3R,4R,6R,7S,8R,10S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-ethylsulfanyl-1,10-dimethoxy-2,5,9-trioxatricyclo[8.4.0.03,8]tetradecan-7-ol 在 四丁基氟化铵 、 双(三甲基硅烷基)氨基钾 作用下， 以 四氢呋喃 为溶剂， 生成 ethyl-2-O-benzyl-3,4-O-[1',2'-dimethoxycyclohexan-1',2'-diyl]-6-O-isobutyl-1-thio-α-D-mannopyranoside
  参考文献：
  名称：

  Design, Synthesis, and Biological Evaluation ofα4β1 Integrin Antagonists Based onβ-D-Mannose as Rigid Scaffold

  摘要：

  A cyclic peptide role model was used for the design and synthesis of a new class of biologically active and α4 -selective integrin antagonists (e.g. 1) based on β-D-mannose. These carbohydrate-based peptidomimetics were synthesized to include the functional groups of their cyclic peptide precursors without the redundant amide backbone.

  DOI：

  10.1002/1521-3773(20011015)40:20<3870::aid-anie3870>3.0.co;2-x
• 作为产物：
  描述：

  1,1,2,2-四甲氧基环己烷 在 咪唑 、 camphor-10-sulfonic acid 、 原甲酸三甲酯 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 32.0h， 生成 (1S,3R,4R,6R,7S,8R,10S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-ethylsulfanyl-1,10-dimethoxy-2,5,9-trioxatricyclo[8.4.0.03,8]tetradecan-7-ol
  参考文献：
  名称：

  Grice, Peter; Ley, Steven V.; Pietruszka, Joerg, Journal of the Chemical Society. Perkin transactions I, 1997, # 4, p. 351 - 363

  摘要：

  DOI：

文献信息

• Grice, Peter; Ley, Steven V.; Pietruszka, Joerg, Journal of the Chemical Society. Perkin transactions I, 1997, # 4, p. 351 - 363
  作者：Grice, Peter、Ley, Steven V.、Pietruszka, Joerg、Priepke, Henning W. M.、Warriner, Stuart L.

  DOI：——

  日期：——
• Grice, Peter; Ley, Steven V.; Pietruszka, Joerg, Angewandte Chemie, 1996, vol. 108, # 2, p. 206 - 208
  作者：Grice, Peter、Ley, Steven V.、Pietruszka, Joerg、Priepke, Henning W. M.

  DOI：——

  日期：——
• Design, Synthesis, and Biological Evaluation ofα4β1 Integrin Antagonists Based onβ-D-Mannose as Rigid Scaffold
  作者：Jürgen Boer、Dirk Gottschling、Anja Schuster、Bernhard Holzmann、Horst Kessler

  DOI：10.1002/1521-3773(20011015)40:20<3870::aid-anie3870>3.0.co;2-x

  日期：2001.10.15

  A cyclic peptide role model was used for the design and synthesis of a new class of biologically active and α4 -selective integrin antagonists (e.g. 1) based on β-D-mannose. These carbohydrate-based peptidomimetics were synthesized to include the functional groups of their cyclic peptide precursors without the redundant amide backbone.