tert-butyl N-[N'-[2-[[1-[6-chloro-3-[[2,2-difluoro-2-(4-fluoronaphthalen-1-yl)ethyl]amino]-2-fluorophenyl]-2-oxoethyl]amino]ethoxy]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: tert-butyl N-[N'-[2-[[1-[6-chloro-3-[[2,2-difluoro-2-(4-fluoronaphthalen-1-yl)ethyl]amino]-2-fluorophenyl]-2-oxoethyl]amino]ethoxy]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate
• 化学式: C₃₃H₃₈ClF₄N₅O₆
• 分子量: 712.1
• InChiKey: UUWZBLLWXIZAIZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.1
• 重原子数：
  49
• 可旋转键数：
  17
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  139
• 氢给体数：
  4
• 氢受体数：
  12

文献信息

• AMINOPYRIDINYL-, AMINOGUANIDINYL- AND ALKOXYGUANIDINYL- SUBSTITUTED PHENYL ACETAMIDES AS PROTEASE INHIBITORS
  申请人：3-DIMENSIONAL PHARMACEUTICALS, INC.

  公开号：EP1324981A2

  公开（公告）日：2003-07-09
• [EN] AMINOPYRIDINYL-, AMINOGUANIDINYL- AND ALKOXYGUANIDINYL- SUBSTITUTED PHENYL ACETAMIDES AS PROTEASE INHIBITORS<br/>[FR] PHENYLACETAMIDES A SUBSTITUTION AMINOPYRIDINYLE, AMINOGUANIDINYLE ET ALCOXYGUANIDINYLE UTILISES COMME INHIBITEURS DE PROTEASES
  申请人：DIMENSIONAL PHARM INC

  公开号：WO2002028825A2

  公开（公告）日：2002-04-11

  Phenyl acetamide compounds are described, including compounds of Formula (I): or a solvate, hydrate or pharmaceutically acceptable salt thereof; wherein R?3-R6, R11¿, B, Y and W are set forth in the specification. The compounds of the invention are potent inhibitors of proteases, especially trypsin-like serine proteases, such as thrombin and factor Xa. Compositions for inhibiting loss of blood platelets, inhibiting formation of blood platelet aggregates, inhibiting formation of fibrin, inhibiting thrombus formation, and inhibiting embolus formation are described. Other uses of compounds of the invention are as anticoagulants either embedded in or physically linked to materials used in the manufacture of devices used in blood collection, blood circulation, and blood storage, such as catheters, blood dialysis machines, blood collection syringes and tubes, blood lines and stents. Additionally, the compounds can be detectably labeled and employed for in vivo imaging for thrombi.