4-Amino-5-cyano-2-{4-[N-(cyclobutyl)sulphamoyl]anilino}pyrimidine | 363621-48-1

• 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: 4-Amino-5-cyano-2-{4-[N-(cyclobutyl)sulphamoyl]anilino}pyrimidine
• 英文别名: 4-[(4-amino-5-cyanopyrimidin-2-yl)amino]-N-cyclobutylbenzenesulfonamide
• CAS: 363621-48-1
• 化学式: C₁₅H₁₆N₆O₂S
• 分子量: 344.397
• InChiKey: KZQFZAACYDVAER-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  24
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  142
• 氢给体数：
  3
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  4-amino-5-cyano-2-(4-fluorosulphonylanilino)pyrimidine 、 环丁基胺 在 silica gel 、 ethyl acetate n-hexane 、 hexane-diethyl ether 作用下， 反应 19.0h， 以to give the title compound (91 mg, 31%)的产率得到4-Amino-5-cyano-2-{4-[N-(cyclobutyl)sulphamoyl]anilino}pyrimidine
  参考文献：
  名称：

  4-Amino-5-cyano-2-anilino-pyrimidine derivatives and their use as inhibitors of cell-cycle kinases

  摘要：

  化合物的公式（I），其中：R1是卤素，硝基，氰基，羟基，氨基，羧基，氨基甲酰，巯基，C1-6烷基，C2-6烯基或C2-6炔基；p为0-4；其中R1的值可以相同或不同；R2为磺酰基或B-E-基团；其中B根据定义可以被选为C1-6烷基，C2-6烯基，C2-6炔基，C3-8环烷基，C1-6烷基，苯基，杂环基，苯基C1-6烷基或（杂环基）C1-6烷基；E为C（O）—，N（Ra）C（O）—，—C（O）N（Ra）—，—S（O）r—，—SO2N（Ra）—或—N（Ra）SO2—；其中Ra为氢或根据定义可以被选为C1-6烷基，r为1-2；q为0-2；其中R2的值可以相同或不同；且p + q = 1-5；或其药学上可接受的盐或体内可水解的酯。描述其制造过程及其作为细胞周期激酶抑制剂的用途，特别是CDK2，CDK4和/或CDK6。

  公开号：

  US06906065B2

文献信息

• 4-AMINO-5-CYANO-2-ANILINO-PYRIMIDINE DERIVATIVES AND THEIR USE AS INHIBITORS OF CELL-CYCLE KINASES
  申请人：AstraZeneca AB

  公开号：EP1268445A1

  公开（公告）日：2003-01-02
• US6906065B2
  申请人：——

  公开号：US6906065B2

  公开（公告）日：2005-06-14
• [EN] 4-AMINO-5-CYANO-2-ANILINO-PYRIMIDINE DERIVATIVES AND THEIR USE AS INHIBITORS OF CELL-CYCLE KINASES<br/>[FR] DERIVES 4-AMINO-5-CYANO-2-ANILINO-PYRIMIDINES ET LEUR UTILISATION COMME INHIBITEURS DE KINASES DEPENDANTES DE CYCLES CELLULAIRES
  申请人：ASTRAZENECA AB

  公开号：WO2001072717A1

  公开（公告）日：2001-10-04

  Compounds of formula (I) wherein: R1 is halo, nitro, cyano, hydroxy, amino, carboxy, carbamoyl, mercapto, C1-6alkyl, C2-6alkenyl or C2-6alkynyl; p is 0-4; wherein the values of R1 may be the same or different; R2 is sulphamoyl or a group B-E-; wherein B is optionally substituted as defined within and is selected from C1-6alkyl, C2-6alkenyl, C2-6alkynyl, C3-8cycloalkyl, C1-6alkyl, phenyl, a heterocyclic group, phenylC1-6alkyl or (heterocyclic group)C1-6alkyl; E is C(O)-, N(Ra)C(O)-, -C(O)N(Ra)-, -S(O)r-, -SO2N(Ra)- or -N(Ra)SO2-; wherein Ra is hydrogen or C1-6alkyl optionally substituted as defined within and r is 1-2; q is 0-2; wherein the values of R2 may be the same or different; and wherein p + q = 1-5; or a pharmaceutically acceptable salt or an in vivo hydrolysable ester thereof are described. Processes for their manufacture and their use as inhibitors of cell cycle kinases, particularly CDK2, CDK4 and/or CDK6 are also described.
• 4-Amino-5-cyano-2-anilino-pyrimidine derivatives and their use as inhibitors of cell-cycle kinases
  申请人：——

  公开号：US20030087923A1

  公开（公告）日：2003-05-08

  Compounds of formula (I) wherein: R 1 is halo, nitro, cyano, hydroxy, amino, carboxy, carbamoyl, mercapto, C 1-6 alkyl, C 2-6 alkenyl or C 2-6 alkynyl; p is 0-4; wherein the values of R 1 may be the same or different; R 2 is sulphamoyl or a group B—E—; wherein B is optionally substituted as defined within and is selected from C 1-6 alkyl, C 2-6 alkenyl, C 2-6 alkynyl, C 3-8 cycloalkyl, C 1-6 alkyl, phenyl, a heterocyclic group, phenylC 1-6 alkyl or (heterocyclic group)C 1-6 alkyl; E is C(O)—, N(R a )C(O)—, —C(O)N(R a )—, —S(O) r —, —SO 2 N(R a )— or —N(R a )SO 2 —; wherein R a is hydrogen or C 1-6 alkyl optionally substituted as defined within and r is 1-2; q is 0-2; wherein the values of R 2 may be the same or different; and wherein p+q=1-5; or a pharmaceutically acceptable salt or an in vivo hydrolysable ester thereof are described. Processes for their manufacture and their use as inhibitors of cell cycle kinases, particularly CDK2, CDK4 and/or CDK6 are also described.

  式(I)的化合物，其中：R1为卤素、硝基、氰基、羟基、氨基、羧基、氨基甲酰基、巯基、C1-6烷基、C2-6烯基或C2-6炔基；p为0-4；其中R1的值可以相同也可以不同；R2为磺胺基或B—E—基团；其中B如下定义并且可选择性取代，并选自C1-6烷基、C2-6烯基、C2-6炔基、C3-8环烷基、C1-6烷基、苯基、杂环基、苯基C1-6烷基或(杂环基)C1-6烷基；E为C(O)—、N(Ra)C(O)—、—C(O)N(Ra)—、—S(O)r—、—SO2N(Ra)—或—N(Ra)SO2—；其中Ra为氢或C1-6烷基，可选择性取代，并且r为1-2；q为0-2；其中R2的值可以相同也可以不同；且p+q=1-5；或其药学上可接受的盐或体内可水解酯。还描述了它们的制备方法以及作为细胞周期激酶抑制剂的用途，特别是CDK2、CDK4和/或CDK6。