(2S)-2-amino-1-(1,3-benzoxazol-2-yl)-3-phenylpropan-1-ol | 290814-54-9

• 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: (2S)-2-amino-1-(1,3-benzoxazol-2-yl)-3-phenylpropan-1-ol
• CAS: 290814-54-9
• 化学式: C₁₆H₁₆N₂O₂
• 分子量: 268.315
• InChiKey: STRXWAOEQWDKLZ-SFVWDYPZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  20
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  72.3
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (2S,4R)-4-(4-Chloro-benzyloxy)-pyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester 、 (2S)-2-amino-1-(1,3-benzoxazol-2-yl)-3-phenylpropan-1-ol 在 Methanaminium,N-[(dimethylamino)(3H-1,2,3-triazolo[4,5-b]pyridin-3-yloxy)methylene]-N-methyl-, hexafluorophosphate(1-) 、 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 0.17h， 生成 tert-butyl (2S,4R)-2-[[(2S)-1-(1,3-benzoxazol-2-yl)-1-hydroxy-3-phenylpropan-2-yl]carbamoyl]-4-[(4-chlorophenyl)methoxy]pyrrolidine-1-carboxylate
  参考文献：
  名称：

  WO2008/97673

  摘要：

  公开号：
• 作为产物：
  描述：

  N-Cbz-L-苯丙氨醛 在 palladium on activated charcoal 氢气 、 异丙基氯化镁 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 反应 16.67h， 生成 (2S)-2-amino-1-(1,3-benzoxazol-2-yl)-3-phenylpropan-1-ol
  参考文献：
  名称：

  Expanding the scope of PNA-encoded libraries: divergent synthesis of libraries targeting cysteine, serine and metallo-proteases as well as tyrosine phosphatases

  摘要：

  Seven PNA-encoded combinatorial libraries targeting proteases and phosphatases with covalent reversible and irreversible mechanism-based inhibitors were prepared. The libraries were synthesized using modified PNA monomers, which dramatically increase the water solubility of the libraries in biologically relevant buffers. The libraries were shown to selectively inhibit targeted enzymes. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2007.03.033

文献信息

• COMPOUNDS AND COMPOSITIONS AS CHANNEL ACTIVATING PROTEASE INHIBITORS
  申请人：Tully David C.

  公开号：US20100239551A1

  公开（公告）日：2010-09-23

  The invention provides compounds and pharmaceutical compositions thereof, which are useful for modulating chan-nel activating proteases, and methods for using such compounds to treat, ameliorate or prevent a condition associated with a channel activating protease, including but not limited to prostasin, PRSS22, TMPRSS11 (e.g., TMPRSS11B, TMPRSSI1E), TMPRSS2, TMPRSS3, TMPRSS4 (MTSP-2), matriptase (MTSP-1), CAP2, CAP3, trypsin, cathepsin A, or neutrophil elastase.
• [EN] COMPOUNDS AND COMPOSITIONS AS CHANNEL ACTIVATING PROTEASE INHIBITORS<br/>[FR] COMPOSÉS ET COMPOSITIONS EN TANT QU'INHIBITEURS DE LA PROTÉASE ACTIVATRICE DE CANAUX
  申请人：IRM LLC

  公开号：WO2008097673A1

  公开（公告）日：2008-08-14

  [EN] The invention provides compounds and pharmaceutical compositions thereof, which are useful for modulating channel activating proteases, and methods for using such compounds to treat, ameliorate or prevent a condition associated with a channel activating protease, including but not limited to prostasin, PRSS22, TMPRSS11 (e.g., TMPRSS11B, TMPRSS11E), TMPRSS2, TMPRSS3, TMPRSS4 (MTSP-2), matriptase (MTSP-1), CAP2, CAP3, trypsin, cathepsin A, or neutrophil elastase.
  [FR] La présente invention concerne des composés et leurs compositions pharmaceutiques, qui servent à moduler les protéases activatrices de canaux, et des procédés destinés à l'utilisation de tels composés afin de traiter, améliorer ou prévenir un état associé à une protéase activatrice de canaux, comprenant mais sans s'y limiter la prostasine, les PRSS22, TMPRSS11 (TMPRSS11B, TMPRSS11E, par exemple), TMPRSS2, TMPRSS3, TMPRSS4 (MTSP-2), la matriptase (MTSP-1), CAP2, CAP3, la trypsine, la cathepsine A ou l'élastase neutrophile.
• Expanding the scope of PNA-encoded libraries: divergent synthesis of libraries targeting cysteine, serine and metallo-proteases as well as tyrosine phosphatases
  作者：François Debaene、Julien A. Da Silva、Zbigniew Pianowski、Fernando J. Duran、Nicolas Winssinger

  DOI：10.1016/j.tet.2007.03.033

  日期：2007.7

  Seven PNA-encoded combinatorial libraries targeting proteases and phosphatases with covalent reversible and irreversible mechanism-based inhibitors were prepared. The libraries were synthesized using modified PNA monomers, which dramatically increase the water solubility of the libraries in biologically relevant buffers. The libraries were shown to selectively inhibit targeted enzymes. (c) 2007 Elsevier Ltd. All rights reserved.
• WO2008/97673
  申请人：——

  公开号：——

  公开（公告）日：——