N-{3-[9-Ethyl-2-(trans-4-hydroxy-cyclo-hexylamino)-9H-purin-6-yl-amino]-phenyl}-3-(2,6-dichlorophenyl)-propargylic acid amide | 289480-07-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并嘧啶类
• 英文名称: N-{3-[9-Ethyl-2-(trans-4-hydroxy-cyclo-hexylamino)-9H-purin-6-yl-amino]-phenyl}-3-(2,6-dichlorophenyl)-propargylic acid amide
• CAS: 289480-07-5
• 化学式: C₂₈H₂₇Cl₂N₇O₂
• 分子量: 564.474
• InChiKey: CBGRKQBWRIOZRW-IRJFHVNHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  39.0
• 可旋转键数：
  6.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  116.99
• 氢给体数：
  4.0
• 氢受体数：
  8.0

反应信息

• 作为产物：
  描述：

  4-[6-(3-Amino-phenylamino)-9-ethyl-9H-purin-2-ylamino]-cyclohexanol 、 (2,6-dichloro-phenyl)-propiolic acid 、 N,N-二异丙基乙胺 、 柠檬酸 以 乙酸乙酯 、 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 以60%的产率得到N-{3-[9-Ethyl-2-(trans-4-hydroxy-cyclo-hexylamino)-9H-purin-6-yl-amino]-phenyl}-3-(2,6-dichlorophenyl)-propargylic acid amide
  参考文献：
  名称：

  2-Amino-6-anilino-purines and their use as medicaments

  摘要：

  公式I中定义的符号如权利要求书1中所定义的那样，描述了1的2-氨基-6-苯胺基嘌呤衍生物。这些化合物抑制p34 cdc2/cyclin B cdc13激酶和蛋白酪氨酸激酶pp60 c-src，并可用于治疗过度增殖性疾病，例如肿瘤疾病，以及对蛋白酪氨酸激酶pp60 c-src活性抑制有反应的疾病，特别是骨质疏松症。

  公开号：

  US20020016329A1

文献信息

• 2-amino-6-anilino-purines and their use as medicaments
  申请人：Novartis AG

  公开号：US06767906B2

  公开（公告）日：2004-07-27

  This application discloses 2-amino-6-anilino-purine derivatives of the formula I in which q is 1-5, and R1 is &agr;) —S(═O)k—NR6R7, in which  k is 1 or 2,  wherein under the proviso that R6 and R7 cannot be simultaneously hydrogen &agr;1) R6, R7 can be identical or different from one another and represent an aliphatic, carbocyclic, heterocyclic, carbocyclic-aliphatic or heterocyclic-aliphatic radical; hydrogen or lower aliphatic acyl; or &agr;2) R6 and R7 together are an alkylene or alkenylene radical having from 3 up to and including 9 C atoms, in which 1-3 C atoms can be replaced by oxygen, sulfur or nitrogen, &bgr;) N-(aryl lower alkyl)carbamoyl, or &ggr;) a radical of the formula —NH—S(═O)i—R8, in which  i is 1 or 2,  R8 is an aliphatic, carbocyclic or heterocyclic radical; or &dgr;) a radical of the formula —NH—C(═O)—R9,  and the other variable substituents are as defined herein. The inventive compounds inhibit p34cdc2/cyclin Bcdc13 kinase and protein tyrosine kinase pp60c-src and can be used for treatment of hyperproliferative diseases, for example tumour diseases, and diseases which respond to inhibition of the activity of protein tyrosine kinase pp60c-src, in particular osteoporosis.

  本申请公开了式I的2-氨基-6-苯胺基嘌呤衍生物，其中q为1-5，R1为&agr;) -S（═O）k-NR6R7，其中k为1或2，在R6和R7不能同时为氢的前提下&agr;1）R6，R7可以相同或不同，表示脂肪族，环烷，杂环，环烷基-脂肪族或杂环-脂肪族基；氢或较低的脂肪酰基；或&agr;2）R6和R7在一起是具有3到9个C原子的烷基或烯基基团，其中1-3个C原子可以被氧，硫或氮取代，&bgr;) N-（芳基较低烷基）氨基甲酰基，或&ggr;) 公式-NH-S（═O）i-R8的基团，在其中i为1或2，R8为脂肪族，环烷或杂环基团；或&dgr;) 公式-NH-C（═O）-R9的基团，其它可变取代基的定义如本文所述。这些创新化合物抑制p34cdc2 / cyclin Bcdc13激酶和蛋白酪氨酸激酶pp60c-src，并可用于治疗增生性疾病，例如肿瘤疾病和对蛋白酪氨酸激酶pp60c-src活性抑制有反应的疾病，特别是骨质疏松症。
• 2-AMINO-6-ANILINO-PURINES AND THEIR USE AS MEDICAMENTS
  申请人：Novartis AG

  公开号：EP1153024B1

  公开（公告）日：2004-04-28
• JP2002537300A
  申请人：——

  公开号：JP2002537300A

  公开（公告）日：2002-11-05
• US6767906B2
  申请人：——

  公开号：US6767906B2

  公开（公告）日：2004-07-27
• [EN] 2-AMINO-6-ANILINO-PURINES AND THEIR USE AS MEDICAMENTS<br/>[FR] 2-AMINO-6-ANILINO-PURINES ET LEUR UTILISATION COMME MEDICAMENTS
  申请人：NOVARTIS AG

  公开号：WO2000049018A1

  公开（公告）日：2000-08-24

  2-Amino-6-anilino-purine derivatives of formula (I) in which R1 is -S(O)k-NR6R7 or-N(aryl lower alkyl) carbamoyl or -NH-S(O)i-R8 or -NH-C(O)-R9; 9 is 1-5; These compounds inhibit p34cdc2/cyclin Bcdc13 kinase and protein tyrosine kinase pp60c-src and can be used for treatment of hyperproliferative diseases, for example tumour diseases, and diseases which respond to inhibition of the activity of protein tyrosine kinase pp60c-src, in particular osteoporosis.