4-[4-(2-methoxyphenyl)-1H-benzimidazol-2-yl]-1-(1H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine | 1035387-36-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: 4-[4-(2-methoxyphenyl)-1H-benzimidazol-2-yl]-1-(1H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine
• 英文别名: 4-[4-(2-methoxyphenyl)-1H-benzimidazol-2-yl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine
• CAS: 1035387-36-0
• 化学式: C₂₅H₂₅N₇O
• 分子量: 439.52
• InChiKey: DUYSHNBMYNSUOO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  33
• 可旋转键数：
  4
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  109
• 氢给体数：
  3
• 氢受体数：
  6

文献信息

• SUBSTITUTED PIPERIDINES HAVING PROTEIN KINASE INHIBITING ACTIVITY
  申请人：Woodhead Steven John

  公开号：US20100093748A1

  公开（公告）日：2010-04-15

  The invention provides PKA and PKB kinase-inhibiting compounds of the formula (I): or salts, solvates, tautomers or N-oxides thereof, wherein E is a five membered heteroaryl ring containing 1, 2, 3 or 4 heteroatoms selected from O, N and S provided that no more than 1 heteroatom may be other than N; q and r are each is 0 or 1; provided that q+r is 1 or 2; T is N or a group CR 5 ; J 1 -J 2 is N═C(R 6 ), (R 7 )C═N, (R 8 )N—C(O), (R 8 ) 2 C—C(O), N═N or (R 7 )C═C(R 6 ); Q 3 is a bond or a saturated C 1-3 hydrocarbon linker group optionally substituted by fluorine and hydroxy; G is NR 2 R 3 , CN or OH; m and n are each 0 or 1, provided that m+n is 1 or 2, and provided also that m or n are each 0 when the adjacent ring member of ring E is S or O; R 1a and R 1b are the same or different and each is hydrogen or a substituent R 10 ; or R 1a and R 1b together with the carbon atoms or heteroatoms to which they are attached form a 5 or 6-membered aryl or heteroaryl ring, wherein the aryl or heteroaryl rings are optionally substituted by one or more substituents R 10 ; and R 2 , R 3 , R 4 , R 5 , R 7 , R 6 , R 8 , and R 10 are as defined in the claims.

  本发明提供了式(I)的PKA和PKB激酶抑制化合物，或其盐、溶剂化物、互变异构体或N-氧化物，其中E是一个五元杂环芳基环，包含1、2、3或4个从O、N和S中选择的杂原子，但不得多于1个杂原子不是N；q和r各自为0或1；前提是q+r为1或2；T为N或CR5基团；J1-J2为N═C(R6)、(R7)C═N、(R8)N—C(O)、(R8)2C—C(O)、N═N或(R7)C═C(R6)；Q3为键或饱和的C1-3烃基连接基团，可选地被氟和羟基取代；G为NR2R3、CN或OH；m和n各自为0或1，前提是m+n为1或2，且当环E的相邻环成员为S或O时，m或n各自为0；R1a和R1b相同或不同，各自为氢或取代基R10；或R1a和R1b与它们所连接的碳原子或杂原子一起形成一个5或6元芳基或杂芳基环，其中芳基或杂芳基环可选地被一个或多个取代基R10取代；R2、R3、R4、R5、R7、R6、R8和R10如权利要求所定义。
• [EN] SUBSTITUTED PIPERIDINES HAVING PROTEIN KINASE INHIBITING ACTIVITY<br/>[FR] PIPÉRIDINES SUBSTITUÉES AYANT UNE ACTIVITÉ INHIBANT LA PROTÉINE KINASE
  申请人：ASTEX THERAPEUTICS LTD

  公开号：WO2008075109A1

  公开（公告）日：2008-06-26

  [EN] The invention provides PKA and PKB kinase-inhibiting compounds of the formula (I); or salts, solvates, tautomers or N-oxides thereof, wherein E is a five membered heteroaryl ring containing 1, 2, 3 or 4 heteroatoms selected from O, N and S provided that no more than 1 heteroatom may be other than N; q and r are each is 0 or 1; provided that q+r is 1 or 2; T is N or a group CR⁵; J¹-J² is N=C(R⁶), (R⁷)C=N, (R⁸)N- C(O), (R⁸)₂C-C(O), N=N or (R⁷)C=C(R⁶); Q³ is a bond or a saturated C_1-3 hydrocarbon linker group optionally substituted by fluorine and hydroxy; G is NR²R³, CN or OH; m and n are each 0 or 1, provided that m+n is 1 or 2, and provided also that m or n are each 0 when the adjacent ring member of ring E is S or O; R^1a and R^1b are the same or different and each is hydrogen or a substituent R¹⁰; or R^1a and R^1b together with the carbon atoms or heteroatoms to which they are attached form a 5 or 6-membered aryl or heteroaryl ring, wherein the aryl or heteroaryl rings are optionally substituted by one or more substituents R¹⁰; and R², R³, R⁴, R⁵, R⁷, R⁶, R⁸, and R¹⁰ are as defined in the claims.
  [FR] L'invention concerne des composés inhibant PKA et PKB kinase de formule (I), oo des sels, des solvates, des tautomères ou des N-oxydes de celle-ci, formule dans laquelle E représente un noyau hétéroaryle à cinq éléments contenant 1, 2, 3 ou 4 hétéroatomes sélectionnés parmi O, N et S à condition que pas plus d'un hétéroatome puisse être différent de N; q et r représentent chacun 0 ou 1, à condition que q+r soit égal à 1 ou 2; T représente N ou un groupe CR⁵; J¹-J² is N=C(R⁶), (R⁷)C=N, (R⁸)N- C(O), (R⁸)₂C-C(O), N=N ou (R⁷)C=C(R⁶); Q³ représente une liaison ou un groupe lieur d'hydrocarbone C₁