1-tert-Butyl-3-[3-(2-chloro-3,5-dimethoxy-phenyl)-7-(pyridin-4-ylamino)-3,4-dihydro-pyrimido[4,5-d]pyrimidin-2-yl]-urea | 251370-47-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯并吡啶类
• 英文名称: 1-tert-Butyl-3-[3-(2-chloro-3,5-dimethoxy-phenyl)-7-(pyridin-4-ylamino)-3,4-dihydro-pyrimido[4,5-d]pyrimidin-2-yl]-urea
• 英文别名: 1-tert-butyl-3-[3-(2-chloro-3,5-dimethoxyphenyl)-7-(pyridin-4-ylamino)-4H-pyrimido[4,5-d]pyrimidin-2-yl]urea
• CAS: 251370-47-5
• 化学式: C₂₄H₂₇ClN₈O₃
• 分子量: 510.983
• InChiKey: URBNLZHSLIHZBI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  36
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  126
• 氢给体数：
  3
• 氢受体数：
  8

文献信息

• Bicyclic pyrimidines and bicyclic 3,4-dihydropyrimidines as inhibitors of cellular proliferation
  申请人：——

  公开号：US20040044012A1

  公开（公告）日：2004-03-04

  This invention provides bicyclic heterocycles that are useful for treating cell proliferative disorders, such as cancer and restenosis, as well as angiogenesis and atherosclerosis. We have now discovered a group of bicyclic compounds that are potent inhibitors of cyclin-dependent kinases (cdks), growth factor-mediated kinases, and non-receptor kinases. The compounds are readily synthesized and can be administered by a variety of routes, including orally, and have sufficient bioavailability for clinical use. This invention provides compounds of Formula I: 1 where Z is N or CH; G is N or CH; W is NH, S, SO, or SO 2 , R 1 includes phenyl and substituted phenyl, R 2 includes alkyl and cycloalkyl, R 3 includes alkyl and hydrogen, R 8 and R 9 include hydrogen and alkyl, and the pharmaceutically acceptable salts thereof. This invention also provides pharmaceutical formulations comprising a compound of Formula I together with a pharmaceutically acceptable carrier, diluent, or excipient therefor.

  本发明提供了一种双环杂环化合物，用于治疗细胞增殖紊乱，如癌症和再狭窄，以及血管生成和动脉粥样硬化。我们已经发现了一组双环化合物，它们是周期蛋白依赖性激酶（cdks）、生长因子介导的激酶和非受体激酶的强效抑制剂。这些化合物易于合成，可以通过包括口服在内的多种途径给药，并且具有足够的生物利用度，适用于临床使用。本发明提供的化合物如公式I所示： 1 其中 Z是N或CH； G是N或CH； W是NH、S、SO或SO2； R1包括苯基和取代苯基， R2包括烷基和环烷基， R3包括烷基和氢， R8和R9包括氢和烷基，以及药用可接受的盐。 本发明还提供了包含公式I化合物的药物制剂，以及药用可接受的载体、稀释剂或辅料。
• BICYCLIC PYRIMIDINES AND BICYCLIC 3,4-DIHYDROPYRIMIDINES AS INHIBITORS OF CELLULAR PROLIFERATION
  申请人：WARNER-LAMBERT COMPANY

  公开号：EP1080092A2

  公开（公告）日：2001-03-07
• US7501425B1
  申请人：——

  公开号：US7501425B1

  公开（公告）日：2009-03-10
• [EN] BICYCLIC PYRIMIDINES AND BICYCLIC 3,4-DIHYDROPYRIMIDINES AS INHIBITORS OF CELLULAR PROLIFERATION<br/>[FR] PYRIMIDINES BICYCLIQUES ET 3,4-DIHYDROPYRIMIDINES BICYCLIQUES, INHIBITEURS DE PROLIFERATION CELLULAIRE
  申请人：——

  公开号：WO1999061444A2

  公开（公告）日：1999-12-02

  [EN] This invention provides bicyclic heterocycles that are useful for treating cell proliferative disorders, such as cancer and restenosis, as well as angiogenesis and atherosclerosis. We have now discovered a group of bicyclic compounds that are potent inhibitors of cyclin-dependent kinases (cdks), growth factor-mediated kinases, and non-receptor kinases. The compounds are readily synthesized and can be administered by a variety of routes, including orally, and have sufficient bioavailability for clinical use. This invention provides compounds of Formula (I), where Z is N or CH; G is N or CH; W is NH, S, SO, or SO2, R<1> includes phenyl and substituted phenyl, R<2> includes alkyl and cycloalkyl, R<3> includes alkyl and hydrogen, R<8> and R<9> include hydrogen and alkyl, and the pharmaceutically acceptable salts thereof. This invention also provides pharmaceutical formulations comprising a compound of Formula (I) together with a pharmaceutically acceptable carrier, diluent, or excipient therefor.
  [FR] La présente invention concerne des hétérocycles bicycliques utiles aussi bien dans le traitement de troubles dus à une prolifération cellulaire, tels que le cancer et la resténose, que dans ceux relatifs à l'angiogénèse et à l'athérosclérose. Ces composés bicycliques sont de puissants inhibiteurs de kinases dépendantes de la cycline (cdks), de kinases dépendantes du facteur de croissance, et de kinases non réceptrices. Les composés sont facilement synthétisés et peuvent être administrés par des voies différentes, y compris orale, et ils possèdent une biodisponibilité suffisante pour un usage clinique. L'invention concerne des composés et leurs sels, acceptables sur le plan pharmaceutique, de formule (I), dans laquelle Z est un N ou un CH; G est un N ou un CH; W est un NH, un S, un SO, ou un SO2, R<1> comprend un phényle et un phényle substitué; R<2> comprend un alkyle et un cycloalkyle; R<3> comprend un alkyle et un hydrogène, R<8> et R<9> comprennent un hydrogène et un alkyle. Cette invention concerne aussi des formulations pharmaceutiques qui comprennent un composé de formule (I), et un support acceptable sur le plan pharmaceutique, un diluant ou un excipient.