7-Acetyl-7-azabicyclo<2.2.1>heptan | 27514-11-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯烷类
• 英文名称: 7-Acetyl-7-azabicyclo<2.2.1>heptan
• 英文别名: 7-acetyl-7-aza-bicyclo[2.2.1]heptane；1-(7-Azabicyclo[2.2.1]heptan-7-yl)ethanone
• CAS: 27514-11-0
• 化学式: C₈H₁₃NO
• 分子量: 139.197
• InChiKey: GWKBSPIMEBKHTM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  20.3
• 氢给体数：
  0
• 氢受体数：
  1

文献信息

• [EN] TETRAHYDROISOQUINOLINE DERIVED PRMT5-INHIBITORS<br/>[FR] INHIBITEURS DE PRMT5 DÉRIVÉS DE TÉTRAHYDROISOQUINOLÉINE
  申请人：CTXT PTY LTD

  公开号：WO2016034675A1

  公开（公告）日：2016-03-10

  A compound of formula (I) wherein: R1 is optionally one or more halo or methyl groups; R2a and R2b are independently selected from the group consisting of: (i) F; (ii) H; (iii) Me; and (iv) CH2OH; R2c and R2d are independently selected from the group consisting of: (i) F; (ii) H; (iii) Me; and (iv) CH2OH; R3a and R3b are independently selected from H and Me; R4 is either H or Me; R5 is either H or Me; A is either (i) optionally substituted phenyl; (ii) optionally substituted naphthyl; or (iii) optionally substituted C5-12 heteroaryl.

  化合物的结构式（I），其中：R1可以是一个或多个卤素或甲基基团；R2a和R2b分别选择自以下组合：（i）F；（ii）H；（iii）Me；和（iv）CH2OH；R2c和R2d分别选择自以下组合：（i）F；（ii）H；（iii）Me；和（iv）CH2OH；R3a和R3b分别选择自H和Me；R4可以是H或Me；R5可以是H或Me；A可以是（i）可选择取代的苯基；（ii）可选择取代的萘基；或（iii）可选择取代的C5-12杂环基。
• [EN] PRMT5 INHIBITORS<br/>[FR] INHIBITEURS DE PRMT5
  申请人：CTXT PTY LTD

  公开号：WO2017153518A1

  公开（公告）日：2017-09-14

  A compound of formula (Ia), (Ib) or (Ic) wherein: n is 1 or 2; RN is H or Me; R1 is optionally one or more halo or methyl groups; R2a and R2b are independently selected from the group consisting of: (i) F; (ii) H; (iii) Me; and (iv) CH2OH; R2c and R2d (if present) are independently selected from the group consisting of: (i) F; (ii) H; (iii) Me; and (iv) CH2OH; R3a and R3b are independently selected from H and Me; R4a is selected from OH, -NH2, -C(=O)NH2, and -CH2OH; R4b is either H or Me; X is either N or CH; R7 is selected from H and C1-4 alkyl; (a) one of R8a, R8b, R8c and R8d is selected from H, halo, C1-4 alkyl, C1-4 alkoxy, NHC1-4 alkyl; (b) another of R8a, R8b, R8c and R8d is selected from H, C1-4 alkyl, C1-4 fluoroalkyl, C3-6 cycloalkyl, C5-6 heteroaryl, C5-6 heteroaryl methyl, C4-6 heterocyclyl, C4-6 heterocyclyl methyl, phenyl, benzyl, halo, amido, amidomethyl, acylamido, acylamidomethyl, C1-4 alkyl ester, C1-4 alkyl ester methyl, C1-4 alkyl carbamoyl, C1-4 alkyl carbamoyl methyl, C1-4 alkylacyl, C1-4 alkylacyl methyl, phenylcarbonyl, carboxy, carboxymethyl, ether, amino, amino methyl, sulfonamido, sulfonamino, sulfone, sulfoxide, nitrile and nitrilemethyl; (c) the others of R8a, R8b, R8c and R8d are H.

  化合物的化学式(Ia)，(Ib)或(Ic)，其中：n为1或2；RN为H或Me；R1是可选择的一个或多个卤素或甲基基团；R2a和R2b分别从以下组中选择：(i) F；(ii) H；(iii) Me；和(iv) CH2OH；R2c和R2d（如果存在）分别从以下组中选择：(i) F；(ii) H；(iii) Me；和(iv) CH2OH；R3a和R3b分别从H和Me中选择；R4a从OH，-NH2，-C(=O)NH2和-CH2OH中选择；R4b为H或Me；X为N或CH；R7从H和C1-4烷基中选择；(a)R8a，R8b，R8c和R8d中的一个从H，卤素，C1-4烷基，C1-4烷氧基，NHC1-4烷基中选择；(b)R8a，R8b，R8c和R8d中的另一个从H，C1-4烷基，C1-4氟代烷基，C3-6环烷基，C5-6杂环芳基，C5-6杂环芳基甲基，C4-6杂环烷基，C4-6杂环烷基甲基，苯基，苄基，卤素，酰胺基，酰胺基甲基，酰胺基，酰胺基甲基，C1-4烷基酯，C1-4烷基酯甲基，C1-4烷基氨基，C1-4烷基氨基甲基，C1-4烷基酰基，C1-4烷基酰基甲基，苯基羰基，羧基，羧甲基，醚，氨基，氨基甲基，磺酰胺基，磺酰氨基，砜，亚砜，腈和腈甲基中选择；(c)R8a，R8b，R8c和R8d中的其他为H。
• [EN] TETRAHYDROISOQUINOLINES AS PRMT5 INHIBITORS<br/>[FR] TÉTRAHYDRO-ISOQUINOLÉINES EN TANT QU'INHIBITEURS DE PRMT5
  申请人：CTXT PTY LTD

  公开号：WO2017153513A1

  公开（公告）日：2017-09-14

  A compound of formula (I) wherein: n is 1 or 2; p is 0 or 1; R1a, R1b, R1c and R1d are independently selected from the group consisiting of H, halo, C1-4 alkoxy, C1-4 alkyl, C1-4 fluoroalkyl, C3-4 cycloalkyl, NH-C1-4 alkyl and cyano; R2a and R2b are independently selected from the group consisting of: (i) F; (ii) H; (iii) Me; and (iv) CH2OH; R2c and R2d are independently selected from the group consisting of: (i) F; (ii) H; (iii) Me; and (iv) CH2OH; R2e is H or Me; R3a and R3b are independently selected from H and Me; R4 is either H or Me; R5 is either H or Me; R6a and R6b are independently selected from H and Me; A is either (i) optionally substituted phenyl; (ii) optionally substituted naphthyl; or (iii) optionally substituted C5-12 heteroaryl; wherein when R2e is H, at least one of R1a, R1b, R1c and R1d is selected from C1-4 alkoxy, C2-4 alkyl, C1-4 fluoroalkyl, C3-4 cycloalkyl, NH-C1-4 alkyl and cyano.

  式（I）的化合物中：n为1或2；p为0或1；R1a、R1b、R1c和R1d分别独立地选自H、卤素、C1-4烷氧基、C1-4烷基、C1-4氟烷基、C3-4环烷基、NH-C1-4烷基和氰基组成的群；R2a和R2b分别独立地选自以下组成的群：（i）F；（ii）H；（iii）Me；和（iv）CH2OH；R2c和R2d分别独立地选自以下组成的群：（i）F；（ii）H；（iii）Me；和（iv）CH2OH；R2e为H或Me；R3a和R3b分别独立地选自H和Me；R4为H或Me；R5为H或Me；R6a和R6b分别独立地选自H和Me；A为（i）可选择地取代的苯基；（ii）可选择地取代的萘基；或（iii）可选择地取代的C5-12杂环芳基；其中当R2e为H时，至少有一个R1a、R1b、R1c和R1d选自C1-4烷氧基、C2-4烷基、C1-4氟烷基、C3-4环烷基、NH-C1-4烷基和氰基。
• [EN] TETRAHYDROISOQUINOLINES AS PRMT5-INHIBITORS<br/>[FR] TÉTRAHYDROISOQUINOLÉINES COMME INHIBITEURS DE PRMT5
  申请人：CTXT PTY LTD

  公开号：WO2017153515A1

  公开（公告）日：2017-09-14

  A compound of formula (I) wherein: n is 1 or 2; p is 0 or 1; R1a, R1b, R1c and R1d are independently selected from H, halo, methyl and methoxy; R2a and R2b are independently selected from the group consisting of: (i) F; (ii) H; (iii) Me; and (iv) CH2OH; R2c and R2d are independently selected from the group consisting of: (i) F; (ii) H; (iii) Me; and (iv) CH2OH; R2e is H or Me; R3a and R3b are independently selected from H and Me; R4 is either H or Me; R6a and R6b are independently selected from H and Me; X is either N or CH; R7 is selected from H and C1-4 alkyl; (a) one of R8a, R8b, R8c and R8d is selected from H, halo, C1-4 alkyl, C1-4 alkoxy, NHC1-4 alkyl; (b) another of R8a, R8b, R8c and R8d is selected from H, C1-4 alkyl, C1-4 fluoroalkyl, C3-6 cycloalkyl, C5-6 heteroaryl, C5-6 heteroaryl methyl, C4-6 heterocyclyl, C4-6 heterocyclyl methyl, phenyl, benzyl, halo, amido, amidomethyl, acylamido, acylamidomethyl, C1-4 alkyl ester, C1-4 alkyl ester methyl, C1-4 alkyl carbamoyl, C1-4 alkyl carbamoyl methyl, C1-4 alkylacyl, C1-4 alkylacyl methyl, phenylcarbonyl, carboxy, carboxymethyl, ether, amino, amino methyl, sulfonamido, sulfonamino, sulfone, sulfoxide, nitrile and nitrilemethyl; (c) the others of R8a, R8b, R8c and R8d are H.

  公式（I）的化合物，其中：n为1或2；p为0或1；R1a，R1b，R1c和R1d分别从H，卤素，甲基和甲氧基中独立选择；R2a和R2b分别从以下组合中选择：（i）F；（ii）H；（iii）Me；和（iv）CH2OH；R2c和R2d分别从以下组合中选择：（i）F；（ii）H；（iii）Me；和（iv）CH2OH；R2e为H或Me；R3a和R3b分别从H和Me中选择；R4为H或Me；R6a和R6b分别从H和Me中选择；X为N或CH；R7从H和C1-4烷基中选择；（a）R8a，R8b，R8c和R8d中的一个从H，卤素，C1-4烷基，C1-4烷氧基，NHC1-4烷基中选择；（b）R8a，R8b，R8c和R8d中的另一个从H，C1-4烷基，C1-4氟代烷基，C3-6环烷基，C5-6杂环芳基，C5-6杂环芳基甲基，C4-6杂环烷基，C4-6杂环烷基甲基，苯基，苄基，卤素，酰胺基，酰胺基甲基，酰胺基，酰胺基甲基，C1-4烷酸酯，C1-4烷酸酯甲基，C1-4烷基氨基，C1-4烷基氨基甲基，苯基甲酰基，羧基，羧基甲基，醚基，氨基，氨基甲基，磺酰胺基，磺胺基，磺醚，亚氧化硫，腈和腈甲基中选择；（c）R8a，R8b，R8c和R8d中的其他均为H。
• Tetrahydroisoquinolines as PRMT5 inhibitors
  申请人：CTXT PTY LTD

  公开号：US10550096B2

  公开（公告）日：2020-02-04

  A compound of formula (I) wherein: n is 1 or 2; p is 0 or 1; R1a, R1b, R1c and R1d are independently selected from H, halo, methyl and methoxy; R2a and R2b are independently selected from the group consisting of: (i) F; (ii) H; (iii) Me; and (iv) CH2OH; R2c and R2d are independently selected from the group consisting of: (i) F; (ii) H; (iii) Me; and (iv) CH2OH; R2e is H or Me; R3a and R3b are independently selected from H and Me; R4 is either H or Me; R6a and R6b are independently selected from H and Me; X is either N or CH; R7 is selected from H and C1-4 alkyl; (a) one of R8a, R8b, R8c, and R8d is selected from H, halo, C1-4 alkyl, C1-4 alkoxy, NHC1-4 alkyl; (b) another of R8a, R8b, R8c and R8d is selected from H, C1-4 alkyl, C1-4 fluoroalkyl, C3-6 cycloalkyl, C5-6 heteroaryl, C5-6 heteroaryl methyl, C4-6 heterocyclyl, C4-6 heterocyclyl methyl, phenyl, benzyl, halo, amido, amidomethyl, acylamido, acylamidomethyl, C1-4 alkyl ester, C1-4 alkyl ester methyl, C1-4 alkyl carbamoyl, C1-4 alkyl carbamoyl methyl, C1-4 alkylacyl, C1-4 alkylacyl methyl, phenylcarbonyl, carboxy, carboxymethyl, ether, amino, amino methyl, sulfonamido, sulfonamino, sulfone, sulfoxide, nitrile and nitrilemethyl; (c) the others of R8a, R8b, R8c and R8d are H.

  式（I）化合物 其中：n 是 1 或 2；p 是 0 或 1；R1a、R1b、R1c 和 R1d 独立地选自 H、卤素、甲基和甲氧基；R2a 和 R2b 独立地选自以下组成的组：(i) F；(ii) H；(iii) Me；和 (iv) CH2OH；R2c 和 R2d 独立地选自以下组成的组：(i) F；(ii) H；(iii) Me；和 (iv) CH2OH；R2e 是 H 或 Me；R3a 和 R3b 独立地选自 H 和 Me；R4 是 H 或 Me：(i) F；(ii) H；(iii) Me；和 (iv) CH2OH； R2e 是 H 或 Me； R3a 和 R3b 独立地选自 H 和 Me； R4 是 H 或 Me； R6a 和 R6b 独立地选自 H 和 Me； X 是 N 或 CH； R7 选自 H 和 C1-4 烷基； (a) R8a、R8b、R8c 和 R8d 中的一个选自 H、卤代、C1-4 烷基、C1-4 烷氧基、NHC1-4 烷基；(b) R8a、R8b、R8c 和 R8d 中的另一个选自 H、C1-4 烷基、C1-4 氟烷基、C3-6 环烷基、C5-6 杂芳基、C5-6 杂芳基甲基、C4-6 杂环烷基、C4-6 杂环烷基甲基、苯基、苄基、卤代、氨基、酰胺甲基、酰氨基、酰酰胺甲基、C1-4烷基酯、C1-4烷基酯甲基、C1-4烷基氨基甲酰基、C1-4烷基氨基甲酰基甲基、C1-4烷基酰基、C1-4烷基酰基甲基、苯基羰基、羧基、羧甲基、醚、氨基、氨基甲基、磺酰氨基、磺酰氨基、砜、亚砜、腈和腈甲基；(c) R8a、R8b、R8c 和 R8d 中的其它物质为 H。