4-{2-[6-(3-tert-butoxycarbonylamino-piopylamino)-pyrido [3,4-d] pyrimidin-4-ylamino]-phenoxy}-butyric acid ethyl ester | 855995-83-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶并嘧啶类
• 英文名称: 4-{2-[6-(3-tert-butoxycarbonylamino-piopylamino)-pyrido [3,4-d] pyrimidin-4-ylamino]-phenoxy}-butyric acid ethyl ester
• 英文别名: Ethyl 4-[2-[[6-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]pyrido[3,4-d]pyrimidin-4-yl]amino]phenoxy]butanoate
• CAS: 855995-83-4
• 化学式: C₂₇H₃₆N₆O₅
• 分子量: 524.62
• InChiKey: YYOMOQKQFQYNJF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  38
• 可旋转键数：
  16
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  137
• 氢给体数：
  3
• 氢受体数：
  10

文献信息

• PYRIDO- AND PYRIMIDOPYRIMIDINE DERIVATIVES AS ANTI-PROLIFERATIVE AGENTS
  申请人：Janssen Pharmaceutica NV

  公开号：EP1697384B1

  公开（公告）日：2008-04-02
• Pyrido-and pyrimidopyrimidine derivatives as anti-profilerative agents
  申请人：Freyne Jean Edgard Eddy

  公开号：US20070078132A1

  公开（公告）日：2007-04-05

  The present invention concerns the compounds of formula the N-oxide forms, the pharmaceutically acceptable addition salts and the stereochemically isomeric forms thereof, wherein a 1 -a 2 =a 3 -a 4 represents a divalent radical selected from N—CH═CH—CH, N—CH═N—CH or CH—CH═N—CH; Z represents NH; Y represents —C 3-9 alkyl-, —C 1-5 alkyl-NR 13 —C 1-5 alkyl-, —C 1-6 alkyl-NH—CO— or —CO—NH—C 1-6 alkyl-; X 1 represents —O— or —NR 11 —; X 2 represents —C 1-2 alkyl-, —O—C 1-2 alkyl, —O— or —O—CH 2 —; R 1 represents hydrogen or halo; R 2 represents hydrogen, cyano, halo, hydroxycarbonyl-, C 1-4 alkyloxycarbonyl-, Het 16 -carbonyl- or Ar 5 ; R 3 represents hydrogen; R 4 represents hydroxy, C 1-4 alkyloxy-, Ar 4 —C 1-4 alkyloxy or R 4 represents C 1-4 alkyloxy substituted with one or where possible two or more substituents selected from C 1-4 alkyloxy- or Het 2 -; R 11 represents hydrogen; R 12 represents hydrogen, C 1-4 alkyl- or C 1-4 alkyl-oxy-carbonyl-; R 13 represents Het 14 -C 1-4 alkyl, in particular morpholinyl-C 1-4 alkyl; Het 2 represents a heterocycle selected from morpholinyl or piperidinyl optionally substituted with C 1-4 alkyl-, preferably methyl; Het 14 represents morpholinyl; Het 16 represents a heterocycle selected from morpholinyl or pyrrolidinyl; Ar 4 represents phenyl; Ar 5 represents phenyl optionally substituted with cyano.
• PYRIDO-AND PYRIMIDOPYRIMIDINE DERIVATIVES AS ANTI-PROLIFERATIVE AGENTS
  申请人：Freyne Eddy Jean Edgard

  公开号：US20100173913A1

  公开（公告）日：2010-07-08

  The present invention concerns the compounds of formula the N-oxide forms, the pharmaceutically acceptable addition salts and the stereochemically isomeric forms thereof, wherein a 1 -a 2 =a 3 -a 4 represents a divalent radical selected from N—CH═CH—CH, N—CH═N—CH or CH—CH═N—CH; Z represents NH; Y represents —C 3-9 alkyl-, —C 1-5 alkyl-NR 13 —C 1-5 alkyl-, —C 1-6 alkyl-NH—CO— or —CO—NH—C 1-6 alkyl-; X 1 represents —O— or —NR 11 —; X 2 represents —C 1-2 alkyl-, —O—C 1-2 alkyl, —O— or —O—CH 2 —; R 1 represents hydrogen or halo; R 2 represents hydrogen, cyano, halo, hydroxycarbonyl-, C 1-4 alkyloxycarbonyl-, Het 16 -carbonyl- or Ar 5 ; R 3 represents hydrogen; R 4 represents hydroxy, C 1-4 alkyloxy-, Ar 4 —C 1-4 alkyloxy or R 4 represents C 1-4 alkyloxy substituted with one or where possible two or more substituents selected from C 1-4 alkyloxy- or Het 2 -; R 11 represents hydrogen; R 12 represents hydrogen, C 1-4 alkyl- or C 1-4 alkyl-oxy-carbonyl-; R 13 represents Het 14 -C 1-4 alkyl, in particular morpholinyl-C 1-4 alkyl; Het 2 represents a heterocycle selected from morpholinyl or piperidinyl optionally substituted with C 1-4 alkyl-, preferably methyl; Het 14 represents morpholinyl; Het 16 represents a heterocycle selected from morpholinyl or pyrrolidinyl; Ar 4 represents phenyl; Ar 5 represents phenyl optionally substituted with cyano.
• PYRIDO- AND PYRIMIDOPYRIMIDINE DERIVATIVES AS ANTI-PROFILERATIVE AGENTS
  申请人：JANSSEN PHARMACEUTICA N.V.

  公开号：US20130231353A1

  公开（公告）日：2013-09-05

  The present invention concerns the compounds of formula wherein a 1 -a 2 =a 3 -a 4 represents a divalent radical selected from N—CH═CH—CH, N—CH═N—CH or CH—CH═N—CH; Z represents NH; Y represents —C 3-9 alkyl-, —C 1-5 alkyl-NR 13 —C 1-5 alkyl-, —C 1-6 alkyl-NH—CO— or —CO—NH—C 1-6 alkyl-; X 1 represents —O— or —NR 11 —; X 2 represents —C 1-2 alkyl-, —O—C 1-2 alkyl, —O— or —O—CH 2 —; R 1 represents hydrogen or halo; R 2 represents hydrogen, cyano, halo, hydroxycarbonyl-, C 1-4 alkyloxycarbonyl-, Het 16 -carbonyl- or Ar 5 ; R 3 represents hydrogen; R 4 represents hydroxy, C 1-4 alkyloxy-, Ar 4 —C 1-4 alkyloxy or substituted C 1-4 alkyloxy; R 11 represents hydrogen; R 12 represents hydrogen, C 1-4 alkyl- or C 1-4 alkyl-oxy-carbonyl-; R 13 represents morpholinyl-C 1-4 alkyl; Het 2 represents morpholinyl or piperidinyl optionally substituted with C 1-4 alkyl-, preferably methyl; Het 14 represents morpholinyl; Het 16 represents morpholinyl or pyrrolidinyl; Ar 4 represents phenyl; Ar 5 represents phenyl optionally substituted with cyano.
• US7799772B2
  申请人：——

  公开号：US7799772B2

  公开（公告）日：2010-09-21