(+/-)-5-(3-chlorophenyl)-α-(4-chlorophenyl)-4,5-dihydro4-methyl-α-(1-methyl-1H-imidazol-5-yl)tetrazolo[1,5-a]quinazoline-7-methanol | 280143-56-8

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: (+/-)-5-(3-chlorophenyl)-α-(4-chlorophenyl)-4,5-dihydro4-methyl-α-(1-methyl-1H-imidazol-5-yl)tetrazolo[1,5-a]quinazoline-7-methanol
• 英文别名: (4-chlorophenyl)-[5-(3-chlorophenyl)-4-methyl-5H-tetrazolo[1,5-a]quinazolin-7-yl]-(3-methylimidazol-4-yl)methanol
• CAS: 280143-56-8
• 化学式: C₂₆H₂₁Cl₂N₇O
• 分子量: 518.405
• InChiKey: FVAYARRKPWGODW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  36
• 可旋转键数：
  4
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  84.9
• 氢给体数：
  1
• 氢受体数：
  6

文献信息

• 1,2-annelated quinoline derivatives
  申请人：Janssen Pharmaceutica, N.V.

  公开号：US20030119843A1

  公开（公告）日：2003-06-26

  This invention concerns compounds of formula 1 the pharmaceutically acceptable acid addition salts and the stereochemically isomeric forms thereof, wherein ═X 1 —X 2 —X 3 — is a trivalent radical,; >Y 1 —Y 2 — is a trivalent radical; r and s are each independently 0, 1, 2, 3, 4 or 5; t is 0, 1, 2 or 3; each R 1 and R 2 are independently hydroxy, halo, cyano, C 1-6 alkyl, trihalomethyl, trihalomethoxy, C 2-6 alkenyl, C 1-6 alkyloxy, hydroxyC 1-6 alkyloxy, C 1-6 alkylthio, C 1-6 alkyloxyC 1-6 alkyloxy, C 1-6 alkyloxycarbonyl, aminoC 1-6 alkyloxy, mono- or di(C 1-6 alkyl)amino, mono- or di(C 1-6 alkylaminoC 1-6 alkyloxy, aryl, arylC 1-6 alkyl, aryloxy or arylC 1-6 alkyloxy, hydroxycarbonyl, C 1-6 alkyloxycarbonyl; or two R 1 or R 2 on adjacent positions form together a bivalent radical; R 3 is hydrogen, halo, C 1-6 alkyl, cyano, haloC 1-6 alkyl, hydroxyC 1-6 alkyl, cyanoC 1-6 alkyl, aminoC 1-6 alkyl, C 1-6 alkyloxyC 1-6 alkyl, C 1-6 alkylthio-C 1-6 alkyl, aminocarbonylC 1-6 alkyl, hydroxycarbonyl, hydroxycarbonylC 1-6 alkyl, C 1-6 alkyoxycarbonylC 1-6 alkyl, C 1-6 alkylcarbonylC 1-6 alkyl, C 1-6 alkyloxycarbonyl, aryl, arylC 1-6 alkyloxyC 1-6 alkyl, mono- or di(C 1-6 alkyl)aminoC 1-6 alkyl, or a radical of formula —O—R 10 , —S—R 10 or —NR 11 R 12 ; R 4 is an optionally substituted imidazolyl; aryl is an optionally substituted phenyl or naphthalenyl; having farnesyl transferase and geranylgeranyl transferase inhibiting activity; their preparation, compositions containing them and their use as a medicine.

  本发明涉及公式1的化合物及其药学上可接受的酸盐和立体化学异构体，其中═X1—X2—X3—是三价基团; >Y1—Y2—是三价基团; r和s分别独立地为0、1、2、3、4或5; t为0、1、2或3; 每个R1和R2独立地为羟基、卤素、氰基、C1-6烷基、三卤甲基、三卤甲氧基、C2-6烯基、C1-6烷氧基、羟基C1-6烷氧基、C1-6烷基硫基、C1-6烷氧基C1-6烷氧基、C1-6烷氧基羰基、氨基C1-6烷氧基、单-或双(C1-6烷基)氨基、单-或双(C1-6烷基氨基C1-6烷氧基、芳基、芳基C1-6烷基、芳氧基或芳基C1-6烷氧基、羟基羧酸、C1-6烷氧羧酸; 或者相邻位置的两个R1或R2结合成一个二价基团; R3是氢、卤素、C1-6烷基、氰基、卤素C1-6烷基、羟基C1-6烷基、氰基C1-6烷基、氨基C1-6烷基、C1-6烷氧基C1-6烷基、C1-6烷基硫基-C1-6烷基、氨基羧酰基C1-6烷基、羟基羧酰基、羟基羧酰基C1-6烷基、C1-6烷氧羧酸C1-6烷基、C1-6烷基羧酰基C1-6烷基、C1-6烷氧羰基、芳基、芳基C1-6烷氧基C1-6烷基、单-或双(C1-6烷基)氨基C1-6烷基，或者是公式—O—R10、—S—R10或—NR11R12的基团; R4是可选择取代的咪唑基; 芳基是可选择取代的苯基或萘基; 具有法尼酰转移酶和戊二烯基戊二酰转移酶抑制活性; 它们的制备、含有它们的组合物以及它们作为药物的用途。
• 1,2-ANNELATED QUINOLINE DERIVATIVES
  申请人：JANSSEN PHARMACEUTICA N.V.

  公开号：EP1140935B1

  公开（公告）日：2003-05-14
• US6458800B1
  申请人：——

  公开号：US6458800B1

  公开（公告）日：2002-10-01
• US6914066B2
  申请人：——

  公开号：US6914066B2

  公开（公告）日：2005-07-05