methyl 5-methyl-7-(1H-pyrazol-1-yl)-2,3-dihydrobenzo[b]oxepine-4-carboxylate | 1415003-61-0

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: methyl 5-methyl-7-(1H-pyrazol-1-yl)-2,3-dihydrobenzo[b]oxepine-4-carboxylate
• 英文别名: Methyl 5-methyl-7-pyrazol-1-yl-2,3-dihydro-1-benzoxepine-4-carboxylate
• CAS: 1415003-61-0
• 化学式: C₁₆H₁₆N₂O₃
• 分子量: 284.315
• InChiKey: BTAYKPXTGZEFTK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  53.4
• 氢给体数：
  0
• 氢受体数：
  4

文献信息

• [EN] TRICYCLIC COMPOUNDS AS INHIBITORS FOR THE PRODUCTION OF BETA-AMYLOID<br/>[FR] COMPOSÉS TRICYCLIQUES EN TANT QU'INHIBITEURS POUR LA PRODUCTION DE BÊTA-AMYLOÏDE
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2012162330A1

  公开（公告）日：2012-11-29

  Compounds of formula (I), including pharmaceutically acceptable salts thereof, are set forth herein: formula (I), wherein X is selected from the group of CH2, O, and NR2; m = 0 or 1; R1 at each instance is selected from the group of halogen, hydroxy, amino, C1-4alkylamino, C1-4dialkylamino, haloC1-4 alkyl, CN, C1-C6 alkyl or cycloalkyl, C1-C6 alkoxy, and C2-C4 alkynyl; L is a bond, -NHCO-, -NH-, or L and Z together can be absent; Z is a C6-C10- aryl group or a 5-10 membered heterocyclic group which can be further substituted with from 0-3 substituents selected from the group of halogen, haloC1-4 alkoxy, 4-methoxyphenyl, hydroxy, amino, C1-4alkylamino, C1-4dialkylamino, haloC1-4 alkyl, CN, C1-C6 alkyl or cycloalkyl, C1-C6 alkoxy, and C2-C4 alkynyl; R2 is selected from the group of hydrogen, benzyl, C1-C6 alkyl or cycloalkyl, C1-C6 alkoxy, acetyl, and methanesulfonyl; and R3, R4 and R5 are independently selected from hydrogen or C1-4alkyl.

  化合物的结构式（I），包括其药用盐，如下所示：结构式（I），其中X选自CH2、O和NR2的组中；m = 0或1；每个R1实例选自卤素、羟基、氨基、C1-4烷基氨基、C1-4二烷基氨基、卤代C1-4烷基、氰基、C1-C6烷基或环烷基、C1-C6烷氧基和C2-C4炔基的组中；L是键，-NHCO-，-NH-，或L和Z一起可以不存在；Z是C6-C10芳基或一个5-10成员杂环基，该基可以进一步取代，取代基选自卤素、卤代C1-4烷氧基、4-甲氧基苯基、羟基、氨基、C1-4烷基氨基、C1-4二烷基氨基、卤代C1-4烷基、氰基、C1-C6烷基或环烷基、C1-C6烷氧基和C2-C4炔基；R2选自氢、苄基、C1-C6烷基或环烷基、C1-C6烷氧基、乙酰基和甲磺酰基的组中；R3、R4和R5独立地选自氢或C1-4烷基。
• COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION
  申请人：THOMPSON, III LORIN A.

  公开号：US20130131051A1

  公开（公告）日：2013-05-23

  Compounds of formula (I), including pharmaceutically acceptable salts thereof, are set forth herein: wherein X is selected from the group of CH 2 , O, and NR 2 ; m=0 or 1; R 1 at each instance is selected from the group of halogen, hydroxy, amino, C 1-4 alkylamino, C 1-4 dialkylamino, haloC 1-4 alkyl, CN, C 1 -C 6 alkyl or cycloalkyl, C 1 -C 6 alkoxy, and C2-C4 alkynyl; L is a bond, —NHCO—, —NH—, or L and Z together can be absent; Z is a C 6 -C 10 -aryl group or a 5-10 membered heterocyclic group which can be further substituted with from 0-3 substituents selected from the group of halogen, haloC 1-4 alkoxy, 4-methoxyphenyl, hydroxy, amino, C 1-4 alkylamino, C 1-4 dialkylamino, haloC 1-4 alkyl, CN, C 1 -C 6 alkyl or cycloalkyl, C 1 -C 6 alkoxy, and C 2 -C 4 alkynyl; R 2 is selected from the group of hydrogen, benzyl, C 1 -C 6 alkyl or cycloalkyl, C 1 -C 6 alkoxy, acetyl, and methanesulfonyl; and R 3 , R 4 and R 5 are independently selected from hydrogen or C 1-4 alkyl.

  以下列出了化学式（I）的化合物，包括其药用可接受的盐： 其中，X选择自CH2，O和NR2的群；m为0或1；每个R1选择自卤素，羟基，氨基，C1-4烷基氨基，C1-4二烷基氨基，卤基C1-4烷基，CN，C1-C6烷基或环烷基，C1-C6烷氧基和C2-C4炔基的群；L为键，-NHCO-，-NH-或L和Z一起可以不存在；Z是C6-C10芳基或5-10成员杂环基，可以进一步用来自卤素，卤基C1-4烷氧基，4-甲氧基苯基，羟基，氨基，C1-4烷基氨基，C1-4二烷基氨基，卤基C1-4烷基，CN，C1-C6烷基或环烷基，C1-C6烷氧基和C2-C4炔基的0-3个取代基置换；R2选择自氢，苄基，C1-C6烷基或环烷基，C1-C6烷氧基，乙酰基和甲磺酰基的群；而R3，R4和R5独立选择自氢或C1-4烷基。
• US8604024B2
  申请人：——

  公开号：US8604024B2

  公开（公告）日：2013-12-10