9-Acetyl-3,9-oxaza-bicyclo<3.3.1>nonan | 99062-98-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: 9-Acetyl-3,9-oxaza-bicyclo<3.3.1>nonan
• 英文别名: 9-acetyl-3-oxa-9-aza-bicyclo[3.3.1]nonane；3-Oxa-9-azabicyclo[3.3.1]nonane, 9-acetyl-(6CI)；1-(3-oxa-9-azabicyclo[3.3.1]nonan-9-yl)ethanone
• CAS: 99062-98-3
• 化学式: C₉H₁₅NO₂
• 分子量: 169.224
• InChiKey: FXRWAKPQADKNJS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  29.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  9-Acetyl-3,9-oxaza-bicyclo<3.3.1>nonan 在 lithium aluminium tetrahydride 作用下， 以 乙醚 、 苯 为溶剂， 反应 20.0h， 生成 9-乙基-3-氧杂-9-氮杂双环[3.3.1]壬烷
  参考文献：
  名称：

  Nikit-skaja,E.S. et al., Journal of general chemistry of the USSR, 1960, vol. 30, p. 182 - 192

  摘要：

  DOI：
• 作为产物：
  描述：

  3-氧杂-9-氮杂双环[3.3.1]壬烷 、 乙酰氯 以 苯 为溶剂， 生成 9-Acetyl-3,9-oxaza-bicyclo<3.3.1>nonan
  参考文献：
  名称：

  Nikit-skaja,E.S. et al., Journal of general chemistry of the USSR, 1960, vol. 30, p. 182 - 192

  摘要：

  DOI：

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] 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。
• 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.