ethyl 4-[[1-(6,7-dihydro-5H-1-pyrindin-7-yl)-1H-benzimidazol-2-yl]amino]-1-piperidinecarboxylate | 317593-82-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯并吡啶类
• 英文名称: ethyl 4-[[1-(6,7-dihydro-5H-1-pyrindin-7-yl)-1H-benzimidazol-2-yl]amino]-1-piperidinecarboxylate
• 英文别名: ethyl 4-[[1-(6,7-dihydro-5H-1-pyrindin-7-yl) 1H-benzimidazol-2-yl]amino]-1-piperidinecarboxylate；ethyl 4-[[1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)benzimidazol-2-yl]amino]piperidine-1-carboxylate
• CAS: 317593-82-1
• 化学式: C₂₃H₂₇N₅O₂
• 分子量: 405.5
• InChiKey: MBLHOOLYFFEWSQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  30
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  72.3
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  7-chloro-6,7-dihydro-5H-cyclopenta[b]pyridine 、 4-(1H-苯并咪唑-2-基氨基)-1-哌啶羧酸乙酯 在 potassium carbonate 作用下， 以 乙腈 为溶剂， 反应 48.0h， 生成 ethyl 4-[[1-(6,7-dihydro-5H-1-pyrindin-7-yl)-1H-benzimidazol-2-yl]amino]-1-piperidinecarboxylate
  参考文献：
  名称：

  RESPIRATORY SYNCYTIAL VIRUS REPLICATION INHIBITORS

  摘要：

  公开号：

  EP1196410B1

文献信息

• Respiratory syncytial virus replication inhibitors
  申请人：Janssens Eduard Frans

  公开号：US20060058309A1

  公开（公告）日：2006-03-16

  The present invention concerns compounds of formula (I), prodrugs, N-oxides, addition salts, quaternary amines, metal complexes and stereochemically isomeric forms thereof wherein -a 1 =a 2 -a 3 =a 4 - represents a radical of formula —CH═CH—CH═CH—; —N═CH—CH═CH—; —CH═N—CH═CH—; —CH═CH—N═CH—; CH═CH—CH═N—; wherein each hydrogen atom may optionally be substituted; Q is a radical of formulae (b-1), (b-2), (b-3), (b-4), (b-5), (b-6), (b-7) and (b-8), wherein Alk is C 1-6 alkanediyl; Y 1 is a bivalent radical of formula —NR 2 — or —CH(NR 2 R 4 ); X 1 is NR 4 , S, S(═O), S(═O) 2 , O, CH 2 , C(═O), CH(═CH 2 ), CH(OH), CH(CH 3 ), CH(OCH 3 ), CH(SCH 3 ), CH(NR 5a R 5b ), CH 2 —NR 4 or NR 4 —CH 2 ; X 2 is a direct bond, CH 2 , C(═O), NR 4 , C 1-4 alkyl-NR 4 , NR 4 —C 1-4 alkyl, t is 2 to 5; u is 1 to 5; v is 2 or 3; and whereby each hydrogen in Alk and in (b-3), (b-4), (b-5), (b-6), (b-7) and (b-8), may optionally be replaced by R 3 ; provided that when R 3 is hydroxy or C 1-6 alkyloxy, then R 3 cannot replace a hydrogen atom in the α position relative to a nitrogen atom; G is a direct bond or optionally substituted C 1-10 alkanediyl; R 1 is an optionally substituted bicyclic heterocycle; R 2 is hydrogen, formyl, C 1-6 alkylcarbonyl, Hetcarbonyl, pyrrolidinyl, piperidinyl, homopiperidinyl, C 3-7 cycloalkyl or C 1-10 alkyl substituted with N(R 6 ) 2 and optionally with another substituent; R 3 is hydrogen, hydroxy, C 1-6 alkyl, C 1-6 alkyloxy, arylC 1-6 alkyl or arylC 1-6 alkyloxy, R 4 is hydrogen, C 1-6 alkyl or arylC 1-6 alkyl; R 5a , R 5b , R 5c and R 5d are hydrogen or C 1-6 alkyl; or R 5a and R 5b , or R 5c and R 5d taken together from a bivalent radical of formula —(CH 2 ) S — wherein S is 4 or 5; R 6 is hydrogen, C 1-4 alkyl, formyl, hydroxyC 1-6 alkyl, C 1-6 alkylcarbonyl or C 1-6 alkyloxycarbonyl; aryl is optionally substituted phenyl; Het is pyridyl, pyrimidinyl, pyryzinyl, pyridazinyl; as respiratory syncytial virus replication inhibitors; their preparation, compositions containing them and their use as a medicine.

  本发明涉及公式（I）的化合物，前药，N-氧化物，加成盐，季铵盐，金属配合物和立体化学异构体，其中-a1 = a2-a3 = a4-表示公式—CH = CH-CH = CH-;—N = CH-CH = CH-;—CH = N-CH = CH-;—CH = CH-N = CH-; CH = CH-CH = N-;其中每个氢原子可以选择被取代；Q是公式（b-1），（b-2），（b-3），（b-4），（b-5），（b-6），（b-7）和（b-8）的基团，其中Alk是C1-6烷基二亚基；Y1是公式—NR2—或—CH（NR2R4）的双价基团；X1是NR4，S，S（═O），S（═O）2，O，CH2，C（═O），CH（═ ），CH（OH），CH（CH3），CH（O ），CH（S ），CH（NR5aR5b）， —NR4或NR4— ；X2是直接键， ，C（═O），NR4，C1-4烷基-NR4，NR4—C1-4烷基，t为2至5；u为1至5；v为2或3；其中Alk和（b-3），（b-4），（b-5），（b-6），（b-7）和（b-8）中的每个氢可以选择被R3取代；但是当R3为羟基或C1-6烷氧基时，R3不能取代氮原子相对的α位置上的氢原子；G是直接键或可选择取代的C1-10烷基二亚基；R1是可选择取代的双环杂环；R2是氢，甲酰基，C1-6烷基羰基，Hetcarbonyl，吡咯烷基，哌啶基，同半哌啶基，C3-7环烷基或C1-10烷基，其被N（R6）2和可选择另一个取代基取代；R3是氢，羟基，C1-6烷基，C1-6烷氧基，芳基C1-6烷基或芳基C1-6烷氧基；R4是氢，C1-6烷基或芳基C1-6烷基；R5a，R5b，R5c和R5d是氢或C1-6烷基；或R5a和R5b，或R5c和R5d一起形成公式—（ ）S—的双价基团，其中S为4或5；R6是氢，C1-4烷基，甲酰基，羟基C1-6烷基，C1-6烷基羰基或C1-6烷氧羰基；芳基是可选择取代的苯基；Het是吡啶基，嘧啶基，吡啶啉基，吡嗪啉基；作为呼吸道合胞病毒复制抑制剂；它们的制备，含有它们的组合物以及它们作为药物的用途。
• US7407969B2
  申请人：——

  公开号：US7407969B2

  公开（公告）日：2008-08-05
• [EN] RESPIRATORY SYNCYTIAL VIRUS REPLICATION INHIBITORS<br/>[FR] INHIBITEURS DE RÉPLICATION DE VIRUS SYNCYTIAUX RESPIRATOIRES
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2001000615A1

  公开（公告）日：2001-01-04

  The present invention concerns compounds of formula (I), prodrugs, N-oxides, addition salts, quaternary amines, metal complexes and stereochemically isomeric forms thereof wherein -a?1=a2-a3=a4¿- represents a radical of formula -CH=CH-CH=CH-; -N=CH-CH=CH-; -CH=N-CH=CH-; -CH=CH-N=CH-; -CH=CH-CH=N-; wherein each hydrogen atom may optionally be substituted; Q is a radical of formulae (b-1), (b-2), (b-3), (b-4), (b-5), (b-6), (b-7) and (b-8), wherein Alk is C¿1-6?alkanediyl; Y?1¿ is a bivalent radical of formula -NR2- or -CH(NR?2R4)-; X1 is NR4¿, S, S(=O), S(=O)¿2?, O, CH2, C(=O), CH(=CH2), CH(OH), CH(CH3), CH(OCH3), CH(SCH3), CH(NR?5aR5b), CH¿2-NR?4 or NR4-CH¿2; X2 is a direct bond, CH¿2?, C(=O), NR?4, C¿1-4alkyl-NR?4, NR4-C¿1-4alkyl, t is 2 to 5; u is 1 to 5; v is 2 or 3; and whereby each hydrogen in Alk and in (b-3), (b-4), (b-5), (b-6), (b-7) and (b-8), may optionally be replaced by R3; provided that when R3 is hydroxy or C¿1-6?alkyloxy, then R?3¿ cannot replace a hydrogen atom in the α position relative to a nitrogen atom; G is a direct bond or optionally substituted C¿1-10?alkanediyl; R?1¿ is an optionally substituted bicyclic heterocycle; R2 is hydrogen, formyl, C¿1-6?alkylcarbonyl, Hetcarbonyl, pyrrolidinyl, piperidinyl, homopiperidinyl, C3-7cycloalkyl or C1-10alkyl substituted with N(R?6)¿2 and optionally with another substituent; R3 is hydrogen, hydroxy, C¿1-6?alkyl, C1-6alkyloxy, arylC1-6alkyl or arylC1-6alkyloxy, R?4¿ is hydrogen, C¿1-6?alkyl or arylC1-6alkyl; R?5a, R5b, R5c and R5d¿ are hydrogen or C¿1-6?alkyl; or R?5a and R5b, or R5c and R5d¿ taken together from a bivalent radical of formula -(CH¿2?)s- wherein S is 4 or 5; R?6¿ is hydrogen, C¿1-4?alkyl, formyl, hydroxyC1-6alkyl, C1-6alkylcarbonyl or C1-6alkyloxycarbonyl; aryl is optionally substituted phenyl; Het is pyridyl, pyrimidinyl, pyryzinyl, pyridazinyl; as respiratory syncytial virus replication inhibitors; their preparation, compositions containing them and their use as a medicine.