6-(9H-fluoren-9-ylmethoxycarbonylamino)-2-thiophen-2-ylhexanoic acid | 634203-85-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 芴
• 英文名称: 6-(9H-fluoren-9-ylmethoxycarbonylamino)-2-thiophen-2-ylhexanoic acid
• CAS: 634203-85-3
• 化学式: C₂₅H₂₅NO₄S
• 分子量: 435.544
• InChiKey: VRQUSZPUALDCOG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  31
• 可旋转键数：
  10
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  104
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4-(quinoxalin-2-oxy)benzoic acid 、 6-(9H-fluoren-9-ylmethoxycarbonylamino)-2-thiophen-2-ylhexanoic acid 、 alkaline earth salt of/the/ methylsulfuric acid 生成 (3S)-4-oxo-3-(6-(4-(quinoxalin-2-yloxy)benzamido)-2-(thiophen-2-yl)hexanamido)butanoic acid
  参考文献：
  名称：

  Tethering identifies fragment that yields potent inhibitors of human caspase-1

  摘要：

  Disulfide Tethering was applied to the active site of human caspase-1, resulting in the discovery of a novel, tricyclic molecular fragment that selectively binds in S4. This fragment was developed into a class of potent inhibitors of human caspase-1. Several key analogues determined the optimal distance of the tricycle from the catalytic residues, the relative importance of various features of the tricycle, and the importance of the linker.

  DOI：

  10.1016/j.bmcl.2005.10.048
• 作为产物：
  描述：

  2-噻吩乙酸 以 苯 为溶剂， 生成 6-(9H-fluoren-9-ylmethoxycarbonylamino)-2-thiophen-2-ylhexanoic acid
  参考文献：
  名称：

  Identification of potent and novel small-Molecule inhibitors of caspase-3

  摘要：

  The design and synthesis of a series of novel, reversible, small molecule inhibitors of caspase-3 are described. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2003.08.024

文献信息

• Caspase-1 inhibitors and methods for their use
  申请人：——

  公开号：US20040048895A1

  公开（公告）日：2004-03-11

  The invention provides compounds of Formula I and derivatives thereof, pharmaceutical compositions comprising a compound of Formula I, and methods of treatment utilizing such compounds and compositions: 1 wherein: R 1 is chosen from optionally substituted aryl, optionally substituted aralkyl, optionally substituted heteroaryl, and optionally substituted heteroaralkyl; L is a linker; R 2 is chosen from optionally substituted aryl, optionally substituted aralkyl, optionally substituted heteroaryl, and optionally substituted heteroaralkyl; and 2 or single stereoisomers, mixtures of stereoisomers, or the pharmaceutically acceptable salts, amides, or esters thereof.

  本发明提供了式 I 化合物及其衍生物、包含式 I 化合物的药物组合物以及利用此类化合物和组合物进行治疗的方法： 1 其中 R 1 选自任选取代的芳基、任选取代的芳烷基、任选取代的杂芳基和任选取代的杂烷基； L 是连接剂； R 2 选自任选取代的芳基、任选取代的芳烷基、任选取代的杂芳基和任选取代的杂烷基；以及 2 或单一立体异构体、立体异构体混合物或其药学上可接受的盐、酰胺或酯类。
• US7115654B2
  申请人：——

  公开号：US7115654B2

  公开（公告）日：2006-10-03
• [EN] CASPASE-1 INHIBITORS AND METHODS FOR THEIR USE<br/>[FR] INHIBITEURS DE LA CASPASE-1 ET LEURS PROCEDES D'UTILISATION
  申请人：SUNESIS PHARMACEUTICALS INC

  公开号：WO2003103599A2

  公开（公告）日：2003-12-18

  The invention provides compounds of Formula I and derivatives thereof, pharmaceutical compositions comprising a compound of Formula I, and methods of treatment utilizing such compounds and compositions: wherein: R1 chosen from optionally substituted aryl, optionally substituted aralkyl, optionally substituted heteroaryl, and optionally substituted heteroaralkyl; L is a linker; R2 is chosen from optionally substituted aryl, optionally substituted aralkyl, optionally substituted heteroaryl, and optionally substituted heteroaralkyl; and Y is or single stereoisomers, mixtures of stereoisomers, or the pharmaceutically acceptable salts, amides, or esters thereof.