tert-butyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-(4-phenylmethoxyphenyl)carbamate | 289044-51-5

• 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: tert-butyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-(4-phenylmethoxyphenyl)carbamate
• CAS: 289044-51-5
• 化学式: C₂₅H₃₄N₂O₅
• 分子量: 442.555
• InChiKey: GJCAVOZZMQFKBO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  32
• 可旋转键数：
  11
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  77.1
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  tert-butyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-(4-phenylmethoxyphenyl)carbamate 在 palladium on activated charcoal 氢气 、 caesium carbonate 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 3.0h， 生成 (2-tert-Butoxycarbonylamino-ethyl)-(4-methoxy-phenyl)-carbamic acid tert-butyl ester
  参考文献：
  名称：

  Arylaminoethyl amides as inhibitors of the cysteine protease cathepsin K—investigating P1′ substituents

  摘要：

  Modeling, synthesis and in vitro activities of a series of arylaminoethyl amide based inhibitors of the cysteine protease cathepsin K are described. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00344-5
• 作为产物：
  描述：

  4-苯甲氧基苯胺盐酸盐 在 N,N-二异丙基乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 34.0h， 生成 tert-butyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-(4-phenylmethoxyphenyl)carbamate
  参考文献：
  名称：

  Arylaminoethyl amides as inhibitors of the cysteine protease cathepsin K—investigating P1′ substituents

  摘要：

  Modeling, synthesis and in vitro activities of a series of arylaminoethyl amide based inhibitors of the cysteine protease cathepsin K are described. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00344-5

文献信息

• [EN] ARYLAMINOALKYLAMIDES<br/>[FR] ARYLAMINOALKYLAMIDES
  申请人：NOVARTIS AG

  公开号：WO2000048993A1

  公开（公告）日：2000-08-24

  The invention provides aminoacid-arylaminoalkylamides in which the C-terminal carboxy group of the amino acid is substituted by an arylaminoalkylamino substituent and in which the amino nitrogen atom of the amino acid forms a peptide or pseudopeptide linkage which optionally additionally comprises a -methylene-hetero atom- linker or an additional hetero atom, through which it is directly substituted by aryl, lower alkyl, lower alkenyl, lower alkynyl or heterocyclyl, or a physiologically-acceptable and -cleavable ester of a salt thereof; in particular compounds of formula (I), or a physiologically-acceptable and -cleavable ester or a salt thereof, wherein the symbols are as defined, as cathepsin K inhibitors for use pharmaceutically for therapeutic or prophylactic treatment of diseases or medical conditions in which cathepsin K is implicated.

  本发明提供了氨基酸-芳基氨基烷基酰胺，其中氨基酸的C-末端羧基被芳基氨基烷基氨基取代，且氨基酸的氨基氮原子形成肽或伪肽键，该键可选地还包括一个-亚甲基-杂原子-连接基或一个额外的杂原子，通过该键直接被芳基、低碳基、低烯基、低炔基或杂环基取代，或者是其生理上可接受和可水解的盐的酯；特别是式(I)化合物，或其生理上可接受和可水解的酯或盐，其中符号如定义，作为卡特普西林K抑制剂，用于药物治疗或预防与卡特普西林K有关的疾病或医疗状况。