2-[3-[[6-[3-[2-(Morpholine-2-carbonylamino)ethyl]anilino]pyrimidin-4-yl]amino]phenoxy]acetic acid | 892414-31-2

• 分子结构分类: 有机化合物
• 英文名称: 2-[3-[[6-[3-[2-(Morpholine-2-carbonylamino)ethyl]anilino]pyrimidin-4-yl]amino]phenoxy]acetic acid
• CAS: 892414-31-2
• 化学式: C₂₅H₂₈N₆O₅
• 分子量: 492.535
• InChiKey: VXTCIDRDHDVJCU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  36
• 可旋转键数：
  11
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  147
• 氢给体数：
  5
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  2-[3-[[6-[3-[2-(Morpholine-2-carbonylamino)ethyl]anilino]pyrimidin-4-yl]amino]phenoxy]acetic acid 在 O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate 、 N,N-二异丙基乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 0.17h， 生成 14,20-Dioxa-2,4,6,8,17,23-hexazapentacyclo[24.3.1.13,7.19,13.117,21]tritriaconta-1(29),3(33),4,6,9(32),10,12,26(30),27-nonaene-16,22-dione
  参考文献：
  名称：

  WO2006/61415

  摘要：

  公开号：

文献信息

• 2,4 (4,6) PYRIMIDINE DERIVATIVES
  申请人：Freyne Eddy Jean Edgard

  公开号：US20100160310A1

  公开（公告）日：2010-06-24

  The present invention concerns the compounds of formula (I), the N-oxide forms, the pharmaceutically acceptable addition salts and the stereochemically isomeric forms thereof, wherein Z 1 and Z 2 represent NH; Y represents —C 3-9 alkyl-, —C 3-9 alkenyl-, —C 1-5 alkyl-NR 6 —C 1-5 alkyl-, —C 1-5 alkyl-NR 7 —CO—C 1-5 alkyl-, —C 1-6 alkyl-CO—NH—, —C 1-6 alkyl-NH—CO—, —C 1-2 alkyl-CO-Het 10 -CO—, —C 1-3 alkyl-NH—CO-Het 3 -, -Het 4 -C 1-3 alkyl-CO—NH—C 1-3 alkyl-, —C 1-2 alkyl-NH—CO-L 1 -NH—, —NH—CO-L 2 -NH—, —C 1-2 alkyl-CO—NH-L 3 -CO—, —C 1-2 alkyl-NH—CO-L 1 -NH—CO—C 1-3 alkyl-, —C 1-2 alkyl-CO—NH-L 3 -CO—NH—C 1-3 alkyl-, —C 1-2 alkyl-NR 11 —CH 2 —CO—NH—C 1-3 alkyl-, Het 5 -CO—C 1-2 alkyl-, (C 1-5 alkyl-CO—NH—C 1-3 alkyl-CO—NH, —C 1-5 alkyl-NR 13 —CO—C 1-3 alkyl-NH—, —C 1-3 alkyl-NH—CO-Het 27 -CO—, or —C 1-3 alkyl-CO-Het 28 -CO—NH—; X 1 represents a direct bond, O, —O—C 1-2 alkyl-, —CO—C 1-2 alkyl-, —NR 16 —C 1-2 alkyl-, —CO—NR 17 —, Het 23 -C 1-2 alkyl- or C 1-2 alkyl; X 2 represents a direct bond, O, —O—C 1-2 alkyl-, —CO—C 1-2 alkyl-, —NR 18 —C 1-2 alkyl-, —CO—NR 19 —, Het 24 —C 1-2 alkyl- or C 1-2 alkyl; R 1 and R 5 each independently represent hydrogen, halo, C 1-6 alkyloxy- or C 1-6 alkyloxy- substituted with Het 1 or C 1-4 alkyloxy-; R 2 and R 4 each independently represent hydrogen or halo; R 3 represents hydrogen or cyano; R 6 , R 7 , R 13 , R 17 and R 19 represent hydrogen; R 11 represents hydrogen or C 1-4 alkyl; R 16 and R 18 represent hydrogen, C 1-4 alkyl or Het 17 -C 1-4 alkyl-; L 1 , L 2 and L 3 each independently represents C 1-8 alkyl optionally substituted with one or where possible two or more substituents selected from phenyl, methylsulfide, cyano, polyhaloC 1-4 alkyl-phenyl-, C 1-4 alkyloxy, pyridinyl, mono- or di(C 1-4 alkyl)-amino- or C 3-6 cycloalkyl; Het 1 , Het 2 , Het 17 each independently represent morpholinyl, oxazolyl, isoxazolyl, or piperazinyl; Het 3 , Het 4 , Het 5 each independently represent morpholinyl, piperazinyl, piperidinyl or pyrrolidinyl; Het 10 represents piperazinyl, piperidinyl, pyrrolidinyl or azetidinyl; Het 22 represents morpholinyl, oxazolyl, isoxazolyl or piperazinyl wherein said Het 22 is optionally substituted with C 1-4 alkyl; Het 23 and Het 24 each independently represent a heterocycle selected from pyrrolidinyl, piperazinyl or piperidinyl wherein said Het 23 or Het 24 are optionally substituted with Het 22 -carbonyl; Het 27 and Het 28 each independently represent a heterocycle selected from morpholinyl, piperazinyl, piperidinyl or pyrrolidinyl.
• US8148388B2
  申请人：——

  公开号：US8148388B2

  公开（公告）日：2012-04-03
• US8394955B2
  申请人：——

  公开号：US8394955B2

  公开（公告）日：2013-03-12