1-(8-Azabicyclo[3.2.1]octan-8-yl)propan-1-one | 56771-94-9

• 分子结构分类: 有机化合物 - 生物碱及其衍生物 - 托烷生物碱
• 英文名称: 1-(8-Azabicyclo[3.2.1]octan-8-yl)propan-1-one
• CAS: 56771-94-9
• 化学式: C₁₀H₁₇NO
• 分子量: 167.25
• InChiKey: AWOUSNZUJDGXBI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.9
• 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：WO2016034673A1

  公开（公告）日：2016-03-10

  A compound of formula I wherein: n is 1 or 2: p is 0 or 1; 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; 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.

  式I的化合物，其中：n为1或2；p为0或1；R1可选地为一个或多个卤素或甲基基团；R2a和R2b分别选自以下组：(i) F；(ii) H；(iii) Me；和(iv) CH2OH；R2c和R2d分别选自以下组：(i) F；(ii) H；(iii) Me；和(iv) CH2OH；R3a和R3b分别选自H和Me；R4为H或Me；R5为H或Me；R6a和R6b分别选自H和Me；A为(i)可选地取代的苯基；(ii)可选地取代的萘基；或(iii)可选地取代的C5-12杂环基。
• [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。
• Benzolactam compounds as protein kinase inhibitors
  申请人：OTSUKA PHARMACEUTICAL CO., LTD.

  公开号：US11001575B1

  公开（公告）日：2021-05-11

  The invention provides a compound of formula (0): or a pharmaceutically acceptable salt, N-oxide or tautomer thereof; wherein: n is 1 or 2; X is CH or N; Y is selected from CH and C—F; Z is selected from C—Rz and N; R1 is selected from: -(Alk1)t-Cyc1; wherein t is 0 or 1; Optionally substituted C1-6 acyclic hydrocarbon groups R2 is selected from hydrogen; halogen; and C1-3 hydrocarbon groups optionally substituted with one or more fluorine atoms; R3 is hydrogen or a group L-R7; R4 is selected from hydrogen; methoxy; and optionally substituted C1-3 alkyl; and R4a is selected from hydrogen and a C1-3 alkyl group; wherein Rz, Alk1, Cyc1, L1 and R7 are defined herein; provided that the compound is other than 6-benzyl-3-2-[(2-methylpyrimidin-4-yl)amino]pyridin-4-yl}-7,8-dihydro-1,6-naphthyridin-5(6H)-one and 3-2-[(2-methylpyrimidin-4-yl)amino]pyridin-4-yl}-7,8-dihydro-1,6-naphthyridin-5(6H)-one and salts and tautomers thereof. The compounds are inhibitors of ERK1/2 kinases and will be useful in the treatment of ERK1/2-mediated conditions. The compounds are therefore useful in therapy, in particular in the treatment of cancer.

  本发明提供了一种式 (0) 的化合物： 或其药学上可接受的盐、N-氧化物或同系物；其中 n 是 1 或 2 X 是 CH 或 N Y 选自 CH 和 C-F Z 选自 C-Rz 和 N； R1 选自 -(Alk1)t-Cyc1；其中 t 为 0 或 1； 任选取代的 C1-6 无环烃基团 R2 选自氢、卤素和任选被一个或多个氟原子取代的 C1-3 烃基； R3 是氢或基团 L-R7； R4 选自氢、甲氧基和任选被取代的 C1-3 烷基；以及 R4a 选自氢和 C1-3 烷基； 其中 Rz、Alk1、Cyc1、L1 和 R7 在本文中定义；只要该化合物不是 6-苄基-3-2-[(2-甲基嘧啶-4-基)氨基]吡啶-4-基}-7,8-二氢-1,6-萘啶-5(6H)-酮和 3-2-[(2-甲基嘧啶-4-基)氨基]吡啶-4-基}-7,8-二氢-1,6-萘啶-5(6H)-酮及其盐和它们的同系物。 这些化合物是 ERK1/2 激酶的抑制剂，可用于治疗 ERK1/2 介导的疾病。因此，这些化合物可用于治疗，特别是治疗癌症。
• TETRAHYDROISOQUINOLINE DERIVED PRMT5-INHIBITORS
  申请人：CTXT PTY LTD

  公开号：US20170283407A1

  公开（公告）日：2017-10-05

  A compound of formula (I) wherein: R 1 is optionally one or more halo or methyl groups; R 2a and R 2b are independently selected from the group consisting of: (i) F; (ii) H; (iii) Me; and (iv) CH 2 OH; R 2c and R 2d are independently selected from the group consisting of: (i) F; (ii) H; (iii) Me; and (iv) CH 2 OH; R 3a and R 3b are independently selected from H and Me; R 4 is either H or Me; R 5 is either H or Me; A is either (i) optionally substituted phenyl; (ii) optionally substituted naphthyl; or (iii) optionally substituted C 5-12 heteroaryl.