1-(Azetidin-1-yl)-2-(4-methylphenyl)ethanone

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-(Azetidin-1-yl)-2-(4-methylphenyl)ethanone
• 英文别名: 1-(azetidin-1-yl)-2-(4-methylphenyl)ethanone
• 化学式: C₁₂H₁₅NO
• 分子量: 189.25
• InChiKey: BZCKZSBLRYHDFQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.42
• 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] 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。
• 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.
• AMINOINDANE-, AMINOTETRAHYDRONAPHTHALENE- AND AMINOBENZOCYCLOBUTANE-DERIVED PRMT5-INHIBITORS
  申请人：CTXT PTY LTD

  公开号：US20170313713A1

  公开（公告）日：2017-11-02

  A compound of formula (1a), (1b) or (1c) wherein: n is 1 or 2; R N is H or Me; R 1 is optionally one or more halo or methyl groups; R 1 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 (if present) 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 4a is selected from OH, —NH 2 , —C(═O)NH 2 , and —CH 2 OH; R 4b 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.
• [EN] AMINOINDANE-, AMINOTETRAHYDRONAPHTHALENE- AND AMINOBENZOCYCLOBUTANE-DERIVED PRMT5-INHIBITORS<br/>[FR] INHIBITEURS DE PRMT5 DÉRIVÉS D'AMINOINDANE, D'AMINOTÉTRAHYDRONAPHTHALÈNE ET D'AMINOBENZOCYCLOBUTANE
  申请人：CTXT PTY LTD

  公开号：WO2016034671A1

  公开（公告）日：2016-03-10

  A compound of formula (la), (lb) or (lc) 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; R5 is either H or Me; A is either (i) optionally substituted phenyl; (ii) optionally substituted naphthyl; or (iii) optionally substituted C5-12 heteroaryl.