4-(propan-2-yl)-N-[(pyridin-2-yl)methyl]benzamide

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 4-(propan-2-yl)-N-[(pyridin-2-yl)methyl]benzamide
• 英文别名: 4-propan-2-yl-N-(pyridin-2-ylmethyl)benzamide
• 化学式: C₁₆H₁₈N₂O
• mdl: MFCD03374861
• 分子量: 254.33
• InChiKey: FWGAWOZANUEVNW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  42
• 氢给体数：
  1
• 氢受体数：
  2

文献信息

• Tetrahydroisoquinolines as PRMT5 inhibitors
  申请人：CTXT PTY LTD

  公开号：US10421743B2

  公开（公告）日：2019-09-24

  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 consisting 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）化合物 其中：n 为 1 或 2；p 为 0 或 1；R1a、R1b、R1c 和 R1d 独立选自由 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 烷基和氰基组成的组；R2a 和 R2b 独立选自由 (i) F；(ii) H；(iii) Me；和 (iv) CH2OH 组成的组；R2c 和 R2d 独立选自由 (i) F；(ii) H；(iii) Me；和 (iv) CH2OH 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； R5 是 H 或 Me； R6a 和 R6b 独立地选自 H 和 Me； A 是 (i) 任选取代的苯基；(ii) 任选取代的萘基；或 (iii) 任选取代的 C5-12 杂芳基；其中，当 R2e 为 H 时，R1a、R1b、R1c 和 R1d 中至少有一个选自 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。
• TETRAHYDROISOQUINOLINE DERIVED PRMT5-INHIBITORS
  申请人：CTXT PTY LTD

  公开号：US20170298075A1

  公开（公告）日：2017-10-19

  A compound of formula I wherein: n is 1 or 2: p is 0 or 1; 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; R 6a and R 6b are independently selected from H and Me; A is either (i) optionally substituted phenyl; (ii) optionally substituted naphthyl; or (iii) optionally substituted C 5-12 heteroaryl.
• TETRAHYDROISOQUINOLINES AS PRMT5 INHIBITORS
  申请人：CTXT PTY LTD

  公开号：US20190071425A1

  公开（公告）日：2019-03-07

  A compound of formula (I) wherein: n is 1 or 2; p is 0 or 1; R 1a , R 1b , R 1c and R 1d are independently selected from the group consisting of H, halo, C 1-4 alkoxy, C 1-4 alkyl, C 1-4 fluoroalkyl, C 3-4 cycloalkyl, NH—C 1-4 alkyl and cyano; 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 2e is H or Me; 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; R 6a and R 6b are independently selected from H and Me; A is either (i) optionally substituted phenyl; (ii) optionally substituted naphthyl; or (iii) optionally substituted C 5-12 heteroaryl; wherein when R 2e is H, at least one of R 1a , R 1b , R 1c and R 1d is selected from C 1-4 alkoxy, C 2-4 alkyl, C 1-4 fluoroalkyl, C 3-4 cycloalkyl, NH—C 1-4 alkyl and cyano.