[(1S,2R)-1-(2,4-Dimethoxy-benzyloxycarbamoyl)-2-((S)-2,2-dimethyl-1-methylcarbamoyl-propylcarbamoyl)-4-methyl-pentyl]-carbamic acid 9H-fluoren-9-ylmethyl ester | 233749-49-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 芴
• 英文名称: [(1S,2R)-1-(2,4-Dimethoxy-benzyloxycarbamoyl)-2-((S)-2,2-dimethyl-1-methylcarbamoyl-propylcarbamoyl)-4-methyl-pentyl]-carbamic acid 9H-fluoren-9-ylmethyl ester
• CAS: 233749-49-0
• 化学式: C₃₉H₅₀N₄O₈
• 分子量: 702.848
• InChiKey: DOIKPHAARAKVAH-SAUDROSCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  51.0
• 可旋转键数：
  15.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  153.32
• 氢给体数：
  4.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  [(1S,2R)-1-(2,4-Dimethoxy-benzyloxycarbamoyl)-2-((S)-2,2-dimethyl-1-methylcarbamoyl-propylcarbamoyl)-4-methyl-pentyl]-carbamic acid 9H-fluoren-9-ylmethyl ester 在 哌啶 、 三氟乙酸 、 原甲酸三甲酯 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 3.25h， 生成 (2R)-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-2-[(4S)-1-hydroxy-2-(2-methylsulfanylethyl)-5-oxoimidazolidin-4-yl]-4-methylpentanamide
  参考文献：
  名称：

  Solid-phase synthesis of hydroxamic acid based TNF-α convertase inhibitors

  摘要：

  An acid-sensitive linker for the solid phase synthesis of hydroxamic acids is described. Hydroxamic acid based TNF alpha inhibitors have been prepared by solid phase synthesis: derivatisation of N-2-[4-(N-oxyamino)-2R-isobutyl-3S-aminosuccinyl]-L-tert-leucine-N-1-methylamide grafted on Sasrin((R)) resin and subsequent acidic cleavage afforded hydroxamic acids in good yields and with good purity. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(99)00347-6
• 作为产物：
  描述：

  L-叔亮氨酸甲酰胺 在 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 三氟乙酸 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 39.0h， 生成 [(1S,2R)-1-(2,4-Dimethoxy-benzyloxycarbamoyl)-2-((S)-2,2-dimethyl-1-methylcarbamoyl-propylcarbamoyl)-4-methyl-pentyl]-carbamic acid 9H-fluoren-9-ylmethyl ester
  参考文献：
  名称：

  Solid-phase synthesis of hydroxamic acid based TNF-α convertase inhibitors

  摘要：

  An acid-sensitive linker for the solid phase synthesis of hydroxamic acids is described. Hydroxamic acid based TNF alpha inhibitors have been prepared by solid phase synthesis: derivatisation of N-2-[4-(N-oxyamino)-2R-isobutyl-3S-aminosuccinyl]-L-tert-leucine-N-1-methylamide grafted on Sasrin((R)) resin and subsequent acidic cleavage afforded hydroxamic acids in good yields and with good purity. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(99)00347-6