(2R)-2-(3-amidinophenylamino)-N-[3-methyl-4-(2-oxopiperidin-1-yl)-phenyl]-4-methylvaleramide | 444000-58-2

• 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: (2R)-2-(3-amidinophenylamino)-N-[3-methyl-4-(2-oxopiperidin-1-yl)-phenyl]-4-methylvaleramide
• 英文别名: (2R)-2-(3-carbamimidoylanilino)-4-methyl-N-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]pentanamide
• CAS: 444000-58-2
• 化学式: C₂₅H₃₃N₅O₂
• 分子量: 435.569
• InChiKey: LNJHKTNLXBQEEM-OAQYLSRUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  32
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  111
• 氢给体数：
  4
• 氢受体数：
  4

文献信息

• Phenyl derivatives
  申请人：——

  公开号：US20040087582A1

  公开（公告）日：2004-05-06

  Novel compounds of the formula I in which W, X, Y, T, R 1 and R 2 are as defined in Patent claim 1, are inhibitors of coagulation factor Xa and can be employed for the prophylaxis and/or therapy of thromboembolic disorders. 1

  公式I中的新化合物，其中W、X、Y、T、R1和R2如专利权要求1所定义，是凝血因子Xa的抑制剂，可用于预防和/或治疗血栓栓塞疾病。
• [EN] AMIDE COMPOUNDS<br/>[FR] COMPOSES AMIDES
  申请人：FUJISAWA PHARMACEUTICAL CO

  公开号：WO2001025229A1

  公开（公告）日：2001-04-12

  Amide compounds of formula (I) wherein R1 is an N-containing heterocyclic group selected from imidazolyl, triazolyl, pyridyl, pyridazinyl, pyrimidinyl and pyrazinyl, each of which may be substituted with one or more lower alkyl groups, R2 is a hydrogen atom or a lower alkyl group, and R3 is a phenyl group substituted with thienyl or halophenyl; a thienyl group substituted with thienyl, phenyl or halophenyl; a pyrrolyl group substituted with phenyl; a thiazolyl group substituted with phenyl; an indolyl group substituted with lower alkyl and/or halo(lower)alkyl; a fluorenyl group; or a carbazolyl group, and salts thereof which have 5-HT antagonism activity.

  化合物的式子为（I），其中R1是一种含氮杂环基团，可选自咪唑基，三唑基，吡啶基，吡嗪啉基，嘧啶基和吡嗪基，每个基团都可以用一个或多个较低烷基基团取代；R2是氢原子或较低烷基基团；R3是苯基，取代有噻吩基或卤代苯基；取代有噻吩基，苯基或卤代苯基的噻吩基；取代有苯基的吡咯基；取代有苯基的噻唑基；取代有较低烷基和/或卤代较低烷基的吲哚基；芴基；或咔唑基，以及具有5-HT拮抗活性的盐。
• Amide compounds
  申请人：FUJISAWA PHARMACEUTICAL CO., LTD.

  公开号：US20040266774A1

  公开（公告）日：2004-12-30

  The present invention is a compound and pharmaceutical composition comprising a compound of formula (I): 1 where R 1 is an N-containing heterocyclic group selected from an imidazolyl, a triazolyl, a pyridyl, a pyridazinyl, a pyrimidinyl and a pyrazinyl group, each of which may be substituted with one or more lower alkyl groups, R 2 is a hydrogen atom or a lower alkyl group, and R 3 is a phenyl group substituted with thienyl or halophenyl; a thienyl group substituted with thienyl, phenyl or halophenyl; a pyrrolyl group substituted with phenyl; a thiazolyl group substituted with phenyl; an indolyl group substituted with lower alkyl and/or halo(lower)alkyl; a fluorenyl group; or a carbazolyl group which is unsubstituted or substituted with a fluorine atom. The compound of formula (I) includes pharmaceutically acceptable salts. The compound of formula (I) and salts thereof have 5 -HT antagonism activity.

  本发明涉及一种化合物和制药组合物，包括式(I)的化合物：1其中R1是从咪唑基，三唑基，吡啶基，吡嗪基，嘧啶基和吡咯基中选择的含氮杂环基团，每个基团都可以用一个或多个较低的烷基基团进行取代，R2是氢原子或较低的烷基基团，R3是苯基，该苯基被噻吩基或卤代苯基取代；被噻吩基，苯基或卤代苯基取代的噻吩基；被苯基取代的吡咯基；被苯基取代的噻唑基；被较低烷基和/或卤代（较低）烷基取代的吲哚基；芴基；或未取代或取代有氟原子的咔唑基。式(I)的化合物包括药学上可接受的盐。式(I)的化合物及其盐具有5-HT拮抗活性。
• AMIDE COMPOUNDS
  申请人：FUJISAWA PHARMACEUTICAL CO., LTD.

  公开号：EP1216240A1

  公开（公告）日：2002-06-26
• PHENYL DERIVATIVES
  申请人：Merck Patent GmbH

  公开号：EP1351938B1

  公开（公告）日：2007-04-11