5-(2-amino-4-pyrimidinyl)-2-(phenylmethyl)-2,3-dihydro-1H-isoindol-1-one | 862723-37-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异吲哚及其衍生物
• 英文名称: 5-(2-amino-4-pyrimidinyl)-2-(phenylmethyl)-2,3-dihydro-1H-isoindol-1-one
• 英文别名: 5-(2-aminopyrimidin-4-yl)-2-benzyl-3H-isoindol-1-one
• CAS: 862723-37-3
• 化学式: C₁₉H₁₆N₄O
• 分子量: 316.362
• InChiKey: ATYMIQGWWSULBL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  24
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  72.1
• 氢给体数：
  1
• 氢受体数：
  4

文献信息

• Chemical Compounds
  申请人：Drewry David Harold

  公开号：US20080275062A1

  公开（公告）日：2008-11-06

  There is provided compounds of Formula (I) and salts, solvates, and physiologically functional derivatives thereof: wherein R1 is hydrogen or C 1-6 alkyl; n is 1, 2, 3 or 4; R2 is aryl, optionally substituted by one or two groups selected from the group consisting of halogen, hydroxy, cyano, C 1-4 alkyl, C 1-4 alkoxy, C 1-4 alkanoyl, haloC 1-4 alkyl, haloC 1-4 alkoxy, aryl, aryloxy, C 1-4 alkoxycarbonyl, C 1-4 alkylsulfonyl and a group R3R4NSO 2 (wherein R3 and R4 are independently hydrogen or C 1-4 alkyl) and a 5- or 6-membered heteroaryl group; or n is 0 and R1 and R2, together with the nitrogen atom to which they are joined, form a 5- or 6-membered monocyclic heterocyclic ring or a 9- or 10-membered bicyclic heterocyclic ring wherein at least the ring which contains the nitrogen atom to which R1 and R2 are joined is non-aromatic, and wherein the 5- or 6-membered monocyclic heterocyclic ring or the 9- or 10-membered bicyclic heterocyclic ring is optionally substituted by one or two groups selected from the group consisting of halogen, hydroxy, cyano, oxo, C 1-4 alkyl, C 1-4 alkanoyl, C 1-4 alkoxy, haloC 1-4 alkyl, haloC 1-4 alkoxy, aryl, aryloxy and C 1-4 alkoxycarbonyl; and X is indazolyl, pyrazolyl or a group: wherein G is CH or N; and Y 1 and Y 2 are independently hydrogen, halogen and a group NR5R6 (wherein R5 and R6 are independently hydrogen, C 1-6 alkyl or C 2-6 alkenyl).

  提供了化合物的结构式（I）及其盐、溶剂合物和生理功能衍生物：其中R1为氢或C1-6烷基；n为1、2、3或4；R2为芳基，可选择地由卤素、羟基、氰基、C1-4烷基、C1-4烷氧基、C1-4烷酰、卤代C1-4烷基、卤代C1-4烷氧基、芳基、芳氧基、C1-4烷氧羰基、C1-4烷基磺酰和一个R3R4NSO2（其中R3和R4独立地为氢或C1-4烷基）和一个5-或6-成员杂芳基团；或n为0且R1和R2与它们连接的氮原子一起形成5-或6-成员单环杂环或9-或10-成员双环杂环，其中至少包含R1和R2连接的氮原子的环不是芳香的，5-或6-成员单环杂环或9-或10-成员双环杂环可选择地由卤素、羟基、氰基、氧、C1-4烷基、C1-4烷酰、C1-4烷氧基、卤代C1-4烷基、卤代C1-4烷氧基、芳基、芳氧基和C1-4烷氧羰基的一个或两个基团取代；X为吲唑基、吡唑基或一个基团：其中G为CH或N；Y1和Y2独立地为氢、卤素和一个NR5R6（其中R5和R6独立地为氢、C1-6烷基或C2-6烯基）的基团。
• EP1713775A4
  申请人：——

  公开号：EP1713775A4

  公开（公告）日：2009-08-12
• CHEMICAL COMPOUNDS
  申请人：SMITHKLINE BEECHAM CORPORATION

  公开号：EP1713775A2

  公开（公告）日：2006-10-25
• [EN] CHEMICAL COMPOUNDS<br/>[FR] COMPOSES CHIMIQUES
  申请人：SMITHKLINE BEECHAM CORP

  公开号：WO2005074643A2

  公开（公告）日：2005-08-18

  There is provided compounds of Formula (I) and salts, solvates, and physiologically functional derivatives thereof: Formula (I).