2S-amino-N-(2-benzooxazol-2-yl-2-hydroxy-1S-phenethylethyl)-3-cyclohexylpropionamide | 294883-14-0

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 2S-amino-N-(2-benzooxazol-2-yl-2-hydroxy-1S-phenethylethyl)-3-cyclohexylpropionamide
• 英文别名: (2S)-2-amino-N-[(2S)-1-(1,3-benzoxazol-2-yl)-1-hydroxy-4-phenylbutan-2-yl]-3-cyclohexylpropanamide
• CAS: 294883-14-0
• 化学式: C₂₆H₃₃N₃O₃
• 分子量: 435.566
• InChiKey: OSRUHKQXQMIHMJ-RJHJHSSFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  32
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  101
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  9H-fluoren-9-ylmethyl 1S-(2-benzooxazol-2-yl-2-hydroxy-1S-phenethylethylcarbamoyl)-2-cyclohexylethylcarbamate 、 三(2-氨基乙基)胺 生成 2S-amino-N-(2-benzooxazol-2-yl-2-hydroxy-1S-phenethylethyl)-3-cyclohexylproionamide 、 2S-amino-N-(2-benzooxazol-2-yl-2-hydroxy-1S-phenethylethyl)-3-cyclohexylpropionamide
  参考文献：
  名称：

  摘要：

  DOI：

文献信息

• Novel Compounds and compositions as protease inhibitors
  申请人：Axys Pharmaceuticals, Inc.

  公开号：US20030232864A1

  公开（公告）日：2003-12-18

  The present invention relates to novel alkanoyl-substituted heterocyclic derivatives which are cysteine protease inhibitors; the pharmaceutically acceptable salts and N-oxides thereof; their uses as therapeutic agents and the methods of their making.

  本发明涉及新型的烷酰基取代的杂环衍生物，它们是半胱氨酸蛋白酶抑制剂；其药学上可接受的盐和N-氧化物；它们作为治疗剂的用途和制备方法。
• Amine derivatives as protease inhibitors
  申请人：AXYS PHARMACEUTICALS, INC.

  公开号：EP1516877A1

  公开（公告）日：2005-03-23

  The present invention relates to novel alkanoyl-substituted heterocyclic derivatives which are cysteine protease inhibitors; the pharmaceutically acceptable salts and N-oxides thereof; their uses as therapeutic agents and the methods of their making; according to Formal (I) in which: A comprises a heteromonocyclic ring containing 5 to 6 ring member atoms or a fused heteropolycyclic ring system containing 8 to 14 ring member atoms, wherein each ring contains 5 to 7 ring member atoms, X1 is a ring member carbon atom and each ring member other than X1 is a carbon atom or a heteroatom, with the proviso that (i) at least one ring member atom is a heteroatom and (ii) when A is a heteromonocyclic radical containing 5 ring member atoms, no more than two of the ring member atoms comprising A are heteroatoms; n is 0, 1, 2 or 3; X1 is =C- or -CH-; X2 is a bond or a divalent group of Formula (a) or (b); R1 - R8= as in the application.

  本发明涉及作为半胱氨酸蛋白酶抑制剂的新型烷酰基取代杂环衍生物；其药学上可接受的盐和N-氧化物；它们作为治疗剂的用途及其制造方法；根据式(I)，其中：A 由含有 5 至 6 个环原子的杂单环或含有 8 至 14 个环原子的融合杂多环组成，其中每个环含有 5 至 7 个环原子，X1 是环原子碳原子，X1 以外的每个环原子是碳原子或杂原子，但(i)至少有一个环原子是杂原子，(ii)当 A 是含有 5 个环原子的杂单环基时，组成 A 的环原子中杂原子不超过两个；n 为 0、1、2 或 3； X1 为 =C- 或 -CH-； X2 为键或式（a）或（b）的二价基团； R1 - R8= 如本申请所述。
• US6576630B1
  申请人：——

  公开号：US6576630B1

  公开（公告）日：2003-06-10