1-[3-[2-[1-[2,6-dichloro-4-(4,5-dihydro-3,5-dioxo-1,2,4-triazin-2(3H)-yl)phenyl]-1-methylethyl]-4-(2-chlorophenyl)-5-thiazolyl ]benzoyl]-4-methylpiperazine | 261511-95-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 1-[3-[2-[1-[2,6-dichloro-4-(4,5-dihydro-3,5-dioxo-1,2,4-triazin-2(3H)-yl)phenyl]-1-methylethyl]-4-(2-chlorophenyl)-5-thiazolyl ]benzoyl]-4-methylpiperazine
• 英文别名: 2-[3,5-Dichloro-4-[2-[4-(2-chlorophenyl)-5-[3-(4-methylpiperazine-1-carbonyl)phenyl]-1,3-thiazol-2-yl]propan-2-yl]phenyl]-1,2,4-triazine-3,5-dione
• CAS: 261511-95-9
• 化学式: C₃₃H₂₉Cl₃N₆O₃S
• 分子量: 696.057
• InChiKey: UDXCDXANYRRKLJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.2
• 重原子数：
  46
• 可旋转键数：
  6
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  126
• 氢给体数：
  1
• 氢受体数：
  7

文献信息

• IL-5 inhibiting 6-azauracil derivatives
  申请人：——

  公开号：US20020010177A1

  公开（公告）日：2002-01-24

  The present invention is concerned with the compounds of formula 1 the N-oxides, the pharmaceutically acceptable addition salts and the stereochemically isomeric forms thereof, wherein p is 0 to 4; X is O, S, NR 5 or a direct bond; Y is O, S, NR 5 or S(O) 2 ; R 1 independently is C 1-6 alkyl, halo, polyhaloC 1-6 alkyl, hydroxy, mercapto, C 1-6 alkyloxy, C 1-6 alkylthio, C 1-6 alkylcarbonyloxy, aryl, cyano, nitro, Het 3 , R 6 , NR 7 R 8 or substituted C 1-4 alkyl; R 2 is Het 1 , C 3-7 cycloalkyl or optionally substituted C 1-6 alkyl and if X is O, S or NR 5 , then R 2 may also represent aminocarbonyl, aminothiocarbonyl, C 1-4 alkylcarbonyl, C 1-4 alkylthiocarbonyl, arylcarbonyl, arylthiocarbonyl, Het 1 carbonyl or Het 1 thiocarbonyl; R 3 and R 4 independently are hydrogen, C 1-6 alkyl or C 3-7 cycloalkyl; R 3 and R 4 form a C 2-6 alkanediyl; R 5 is hydrogen or C 1-4 alkyl; R 6 is a sulfonyl or sulfinyl derivative; R 7 and R 8 are independently hydrogen, optionally substituted C 1-4 alkyl, aryl, a carbonyl containing moiety, C 3-7 cycloalkyl, —Y—C 1-4 alkanediyl-C(=O)—O—R 14 , Het 3 , Het 4 and R 6 ; R 11 is hydroxy, mercapto, cyano, nitro, halo, trihalomethyl, C 1-4 alkyloxy, formyl, trihaloC 1-4 alkylsulfonyloxy, R 6 , RNR 7 R 8 , C(=O)NR 7 R 8 , C 1-4 alkanediyl-C(=O)—O—R 14 , —C(=O)—O—R 14 , —Y—C 1-4 alkanediyl-C(=O)—O—R 14 , aryl, aryloxy, arylcarbonyl, C 3-7 cycloalkyl, C 3-7 cycloalkyloxy, phthalimide-2-yl, Het 3 and C(=O)Het 3 ; R 14 is hydrogen, C 1-4 alkyl, C 3-7 cycloalkyl, aminocarbonylmethylene or mono-or di(C 1-4 alkyl)aminocarbonylmethylene; aryl is optionally substituted phenyl; Het 1 , Het 2 , Het 3 and Het 4 are optionally substituted heterocycles; to processes for their preparation and compositions comprising them. It further relates to their use as a medicine.

  本发明涉及公式1的化合物，包括N-氧化物、药学上可接受的加合盐及其立体化异构体，其中p为0至4；X为O、S、NR5或直接键；Y为O、S、NR5或S(O)2；R1独立地为C1-6烷基、卤素、多卤代C1-6烷基、羟基、巯基、C1-6烷氧基、C1-6烷硫基、C1-6烷基羰氧基、芳基、氰基、硝基、Het3、R6、NR7R8或取代的C1-4烷基；R2为Het1、C3-7环烷基或可选择取代的C1-6烷基，如果X为O、S或NR5，则R2也可以表示氨基羰基、氨基硫代羰基、C1-4烷基羰基、C1-4烷基硫代羰基、芳基羰基、芳基硫代羰基、Het1羰基或Het1硫代羰基；R3和R4独立地为氢、C1-6烷基或C3-7环烷基；R3和R4形成一个C2-6烷二基；R5为氢或C1-4烷基；R6为磺酰基或亚砜衍生物；R7和R8独立地为氢、可选择取代的C1-4烷基、芳基、含羰基的基团、C3-7环烷基、—Y—C1-4烷二基-C(=O)—O—R14、Het3、Het4和R6；R11为羟基、巯基、氰基、硝基、卤素、三卤甲基、C1-4烷氧基、甲酰基、三卤代C1-4烷基磺酰氧基、R6、RNR7R8、C(=O)NR7R8、C1-4烷二基-C(=O)—O—R14、—C(=O)—O—R14、—Y—C1-4烷二基-C(=O)—O—R14、芳基、芳氧基、芳基羰基、C3-7环烷基、C3-7环烷氧基、邻苯二酰亚胺-2-基、Het3和C(=O)Het3；R14为氢、C1-4烷基、C3-7环烷基、氨基羰基亚甲基或单烷基或双(C1-4烷基)氨基羰基亚甲基；芳基为可选择取代的苯基；Het1、Het2、Het3和Het4为可选择取代的杂环；以及其制备方法和含有它们的组合物。进一步涉及它们作为药物的用途。
• Interleukin-5 inhibiting 6-azauracil derivatives
  申请人：JANSSEN PHARMACEUTICA N.V.

  公开号：EP0987265A1

  公开（公告）日：2000-03-22

  The present invention is concerned with the compounds of formula the N-oxides, the pharmaceutically acceptable addition salts and the stereochemically isomeric forms thereof, wherein p is 0 to 4; X is O, S, NR5 or a direct bond; Y is O, S, NR5 or S(O)2; R1 independently is C1-6alkyl, halo, polyhaloC1-6alkyl, hydroxy, mercapto, C1-6alkyloxy, C1-6alkylthio, C1-6alkylcarbonyloxy, aryl, cyano, nitro, Het3, R6, NR7R8 or substituted C1-4alkyl; R2 is Het1, C3-7cycloalkyl or optionally substituted C1-6alkyl and if X is O, S or NR5, then R2 may also represent aminocarbonyl, aminothiocarbonyl, C1-4alkylcarbonyl, C1-4alkylthiocarbonyl, arylcarbonyl, arylthiocarbonyl, Het1carbonyl or Het1thiocarbonyl; R3 and R4 independently are hydrogen, C1-6alkyl or C3-7cycloalkyl; R3 and R4 form a C2-6alkanediyl; R5 is hydrogen or C1-4alkyl; R6 a sulfonyl or sulfinyl derivative; R7 and R8 are independently hydrogen, optionally substituted C1-4alkyl, aryl, a carbonyl containing moiety, C3-7cycloalkyl, -Y-C1-4alkanediyl-C(=O)-O-R14, Het3 and R6; R11 is hydroxy, mercapto, cyano, nitro, halo, trihalomethyl, C1-4alkyloxy, formyl, trihaloC1-4alkylsulfonyloxy, R6, NR7R8, C(=O)NR7R8, C1-4alkanediyl-C(=O)-O-R14, - C(=O)-O-R14, -Y-C1-4alkanediyl-C(=O)-O-R14, aryl, aryloxy, arylcarbonyl, C3-7cycloalkyl, C3-7cycloalkyloxy, phthalimide-2-yl, Het3, Het4 and C(=O)Het3; R14 is hydrogen, C1-4alkyl, C3-7cycloalkyl, aminocarbonylmethylene or mono-or di(C1-4alkyl)aminocarbonylmethylene; aryl is optionally substituted phenyl; Het1, Het2, Het3 and Het4 are optionally substituted heterocycles; to processes for their preparation and compositions comprising them. It further relates to their use as a medicine.

  本发明涉及式化合物 其中 p 为 0 至 4；X 为 O、S、NR5 或直接键；Y 为 O、S、NR5 或 S(O)2；R1 独立地为 C1-6 烷基、卤代、多卤代 C1-6 烷基、羟基、巯基、C1-6 烷氧基、C1-6 烷硫基、C1-6 烷基羰基氧基、芳基、氰基、硝基、Het3、R6、NR7R8 或取代的 C1-4 烷基；R2 是 Het1、C3-7 环烷基或任选取代的 C1-6 烷基，如果 X 是 O、S 或 NR5，则 R2 还可以代表氨基羰基、氨基硫代羰基、C1-4烷基羰基、C1-4烷基硫代羰基、芳基羰基、芳基硫代羰基、Het1羰基或 Het1硫代羰基；R3 和 R4 独立地为氢、C1-6烷基或 C3-7 环烷基；R3 和 R4 形成 C2-6 烷二基；R5 为氢或 C1-4 烷基；R6 为磺酰基或亚磺酰基衍生物；R7 和 R8 独立地是氢、任选取代的 C1-4 烷基、芳基、含羰基的分子、C3-7 环 烷基、-Y-C1-4 烷二基-C(=O)-O-R14、Het3 和 R6；R11 是羟基、巯基、氰基、硝基、卤代、三卤甲基、C1-4 烷氧基、甲酰基、三卤 C1-4 烷基磺酰氧基、R6、NR7R8、C(=O)NR7R8、C1-4烷二基-C(=O)-O-R14、- C(＝O)-O-R14、-Y-C1-4烷二基-C(＝O)-O-R14、芳基、芳氧基、芳羰基、C3-7 环烷基、C3-7 环烷氧基、邻苯二甲酰亚胺-2-基、Het3、Het4 和 C(＝O)Het3；R14是氢、C1-4烷基、C3-7环烷基、氨基羰基亚甲基或单或二(C1-4烷基)氨基羰基亚甲基；芳基是任选取代的苯基；Het1、Het2、Het3和Het4是任选取代的杂环；还涉及它们的制备工艺和包含它们的组合物。还涉及它们作为药物的用途。
• INTERLEUKIN-5 INHIBITING 6-AZAURACIL DERIVATIVES
  申请人：Janssen Pharmaceutica N.V.

  公开号：EP1114046B1

  公开（公告）日：2003-04-23
• US6894046B2
  申请人：——

  公开号：US6894046B2

  公开（公告）日：2005-05-17
• [EN] INTERLEUKIN-5 INHIBITING 6-AZAURACIL DERIVATIVES<br/>[FR] DERIVES DE 6-AZAURACILE INHIBANT L'INTERLEUKINE 5
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2000017195A1

  公开（公告）日：2000-03-30

  The present invention is concerned with the compounds of formula (I), the N-oxides, the pharmaceutically acceptable addition salts and the stereochemically isomeric forms thereof, it further relates to their use as a medicine.