4-amino-3-[(4-methoxy)-benzylcarbamoyl]-phenyl-1-carboxylic acid 4-methoxy-benzylamide | 1026477-86-0

• 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-3-[(4-methoxy)-benzylcarbamoyl]-phenyl-1-carboxylic acid 4-methoxy-benzylamide
• 英文别名: 4-amino-1-N,3-N-bis[(4-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
• CAS: 1026477-86-0
• 化学式: C₂₄H₂₅N₃O₄
• 分子量: 419.48
• InChiKey: NYFWJEHVTUUEAT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  31
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  103
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4-amino-3-[(4-methoxy)-benzylcarbamoyl]-phenyl-1-carboxylic acid 4-methoxy-benzylamide 、 乙酰丙酮 在 盐酸 作用下， 以 乙醇 为溶剂， 生成 3-(4-methoxy-benzyl)-2-methyl-4-oxo-3,4-dihydro-quinazoline-6-carboxylic acid 4-methoxy-benzylamide hydrochloride
  参考文献：
  名称：

  Oxo-azabicyclic compounds

  摘要：

  从以下公式（I）中选择的化合物：其中：X1、X2和X3代表N或—CR3，其中R3如描述中所述，G1代表从以下公式（i/a）和（i/b）中选择的基团：其中R4、R5和R6如描述中所定义，G2代表从碳-碳三键，—CH═C═CH—，C═O，C═S，S(O)n1中选择的基团，其中n1表示从0到2的整数，或者从以下公式（i/c）中的基团：其中Y1代表O、S、—NH或—N烷基，Y2代表O、S、—NH或—N烷基，n是从0到6的整数，m是从0到7的整数，Z1代表—CR9R10，其中R9和R10如描述中所定义，A代表一个环系统，R1代表从H、烷基、烯基、炔基、可选择取代和公式（i/d）中的基团中选择的基团，其中p、Z2、B、q和G3如描述中所定义，以及可选择的其光学异构体、N-氧化物和与药学上可接受的酸或碱形成的加合物，包含相同的药物制剂作为特异性抑制剂类型-13基质金属蛋白酶。

  公开号：

  US06747147B2
• 作为产物：
  描述：

  4-氨基-间苯二甲酸 、 4-甲氧基苄胺 在 O-(ethoxycarbonyl)cyanomethylamino-N-N-N'-N'-tetramethyl uronium fluoroborate 、 N,N-二异丙基乙胺 作用下， 以 DMF (N,N-dimethyl-formamide) 为溶剂， 以49.3%的产率得到4-amino-3-[(4-methoxy)-benzylcarbamoyl]-phenyl-1-carboxylic acid 4-methoxy-benzylamide
  参考文献：
  名称：

  Oxo-azabicyclic compounds

  摘要：

  从以下公式（I）中选择的化合物：其中：X1、X2和X3代表N或—CR3，其中R3如描述中所述，G1代表从以下公式（i/a）和（i/b）中选择的基团：其中R4、R5和R6如描述中所定义，G2代表从碳-碳三键，—CH═C═CH—，C═O，C═S，S(O)n1中选择的基团，其中n1表示从0到2的整数，或者从以下公式（i/c）中的基团：其中Y1代表O、S、—NH或—N烷基，Y2代表O、S、—NH或—N烷基，n是从0到6的整数，m是从0到7的整数，Z1代表—CR9R10，其中R9和R10如描述中所定义，A代表一个环系统，R1代表从H、烷基、烯基、炔基、可选择取代和公式（i/d）中的基团中选择的基团，其中p、Z2、B、q和G3如描述中所定义，以及可选择的其光学异构体、N-氧化物和与药学上可接受的酸或碱形成的加合物，包含相同的药物制剂作为特异性抑制剂类型-13基质金属蛋白酶。

  公开号：

  US06747147B2

文献信息

• OXO-AZABICYCLIC COMPOUNDS
  申请人：Warner-Lambert Company LLC

  公开号：EP1492775A2

  公开（公告）日：2005-01-05
• US6747147B2
  申请人：——

  公开号：US6747147B2

  公开（公告）日：2004-06-08
• US6894057B2
  申请人：——

  公开号：US6894057B2

  公开（公告）日：2005-05-17
• [EN] OXO-AZABICYCLIC COMPOUNDS<br/>[FR] COMPOSES OXO-AZABICYCLIQUES
  申请人：WARNER LAMBERT CO

  公开号：WO2003076417A2

  公开（公告）日：2003-09-18

  A compound selected from those of formula (I) wherein: X1, X2, and X3, represent N or -CR3 in which R3 is as described in the description, G1 represents a group selected from those of formulae (i/a) and (i/b) in which R4, R5, and R6 are as defined in the description, G2 represents a group selected from carbon-carbon triple bond, -CH=C=CH-, C=O, C=S, S(O)n1 in which nl represents an integer from 0 to 2 inclusive, or a group of formula (i/c) in which Y1 represents O, S, -NH or -Nalkyl, and Y2 represents O, S, -NH or -Nalkyl, n is an integer from 0 to 6 inclusive, and m is an integer from 0 to 7 inclusive, Z1 represents -CR9R10,wherein R9 and R10 are as defined in the description, A represents a ring system, R1 represents a group selected from H, alkyl, alkenyl, alkynyl, optionally substituted and the group of formula (i/d) in which p, Z2, B, q and G3 are as defined in the description and optionally, its optical isomers, N-oxide, and addition salts thereof with a pharmaceutically-acceptable acid or base, and medicinal products containing the same are useful as specific inhibitors of type-13 matrix mettaloprotease.
• [EN] OXO AZABICYCLIC COMPOUNDS<br/>[FR] COMPOSES OXO AZABICYCLIQUES
  申请人：WARNER LAMBERT CO

  公开号：WO2003076416A1

  公开（公告）日：2003-09-18

  A compound selected from those of formula (I): formula (I) wherein: - X1, X2, and X3, represent N or CR3 in which R3 is as described in the description, - G1 represents a group selected from those of formulae (i/a) and (i/b): formula (II) in which R4, R5, and R6 are as defined in the description, - G2 represents a group selected from carbon-carbon triple bond, -CH=C=CH-, C=O, C=S, S(O)nt in which n1 represents an integer from 0 to 2 inclusive, or a group of formula (i/c): formula (III) in which Y1 represents O, S, -NH or Nalkyl, and Y2 represents O, S, -NH or Nalkyl, - n is an integer from 0 to 6 inclusive, and m is an integer from 0 to 7 inclusive, Z1 represents CR9R10, wherein R9 and R10 are as defined in the description, - A represents a ring system, - R1 represents a group selected from H, alkyl, alkenyl, alkynyl, optionally substituted and the group of formula (i/d): formula (IV) in which p, Z2, B, q and G3 are as defined in the description and optionally, its optical isomers, N-oxide, and addition salts thereof with a pharmaceutically-acceptable acid or base, and medicinal products containing the same are useful as specific inhibitors of type-13 matrix mettaloprotease.