N-[2-[[[(1S)-4-(5-aminopyrid-2-yl)-1-[[4-(difluoromethylene)piperid-1-yl]carbonyl]butyl]-amino]sulphonyl]-6-cyclopentylphenyl]propanamide | 363151-20-6

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: N-[2-[[[(1S)-4-(5-aminopyrid-2-yl)-1-[[4-(difluoromethylene)piperid-1-yl]carbonyl]butyl]-amino]sulphonyl]-6-cyclopentylphenyl]propanamide
• 英文别名: N-[2-[[(2S)-5-(5-aminopyridin-2-yl)-1-[4-(difluoromethylidene)piperidin-1-yl]-1-oxopentan-2-yl]sulfamoyl]-6-cyclopentylphenyl]propanamide
• CAS: 363151-20-6
• 化学式: C₃₀H₃₉F₂N₅O₄S
• 分子量: 603.734
• InChiKey: SRASDKHKXLRNEJ-VWLOTQADSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  42
• 可旋转键数：
  11
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  143
• 氢给体数：
  3
• 氢受体数：
  9

文献信息

• N-(heterocyclyl)benzene or pyridinesulphonamides as antithrombotic agents and anticoagulants
  申请人：——

  公开号：US20030207920A1

  公开（公告）日：2003-11-06

  Compounds of formula [I] 1 in which: W may represent a —(CH 2 ) 2 —, —(CH 2 ) 3 —, —CH 2 —C≡C— or —CH 2 —CH═CH— group, R 2 may in particular represent a piperidyl group, an optionally substituted 1,2,3,6-tetrahydropyridyl group, a hexahydro-1H-azepinyl group, an optionally substituted piperazinyl group or a morpholinyl group, R 3 may in particular represent a group —COR 1 , A may in particular represent an optionally substituted phenyl group, a heterocycle or a cyclopentyl group, and B may in particular represent a pyridyl group, an aminopyrazinyl group, an aminopyridazinyl group, a pyrimidinyl group optionally substituted with an amino group, piperidyl group or an aminopyridyl group optionally substituted on the pyridine with a (C 1 -C 4 )alkyl or (C 1 -C 4 )alkoxy group, the amino group possibly also being substituted with a (C 1 -C 4 )alkyl group, their preparation and their therapeutic application.

  式为[I]1的化合物中：W可以代表一个—(CH2)2—、—( )3—、— —C≡C—或— —CH═CH—基团，R2特别可以代表哌啶基团、一个可选择地取代的1,2,3,6-四氢吡啶基团、一个六氢-1H-氮杂环庚基团、一个可选择地取代的哌嗪基团或吗啉基团，R3特别可以代表一个—COR1基团，A特别可以代表一个可选择地取代的苯基团、一个杂环或一个环戊基团，B特别可以代表一个吡啶基团、一个氨基吡嗪基团、一个氨基吡啶基团，一个可选择地取代的嘧啶基团，该嘧啶基团上可选择地取代有氨基、哌啶基团或可选择地取代的苯基团，该氨基团还可能被(C1-C4)烷基或(C1-C4)烷氧基取代，它们的制备及其治疗应用。
• N-(HETEROCYCLYL)BENZENE-OU PYRIDINE SULFONAMIDES COMME AGENTS ANTITHROMBOTIQUES ET ANTICOAGULANTS
  申请人：SANOFI-SYNTHELABO

  公开号：EP1268469B1

  公开（公告）日：2004-06-16
• US6680329B2
  申请人：——

  公开号：US6680329B2

  公开（公告）日：2004-01-20