4-[6-(4-methoxy-benzylcarbamoyl)-1-methyl-4-oxo-1,4-dihydro-2H-quinazolin-3-ylmethyl]-benzoic acid methyl ester | 602165-04-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 4-[6-(4-methoxy-benzylcarbamoyl)-1-methyl-4-oxo-1,4-dihydro-2H-quinazolin-3-ylmethyl]-benzoic acid methyl ester
• 英文别名: 4-[6-(4-methoxy-benzylcarbamoyl)-1-methyl-4-oxo-1,4-dihydro-2H-quinazolin-3-ylmethyl]benzoic acid methyl ester；methyl 4-[6-(4-methoxy-benzylcarbamoyl)-1-methyl-4-oxo-1,4-dihydro-2H-quinazolin-3-ylmethyl]-benzoate；methyl 4-[[6-[(4-methoxyphenyl)methylcarbamoyl]-1-methyl-4-oxo-2H-quinazolin-3-yl]methyl]benzoate
• CAS: 602165-04-8
• 化学式: C₂₇H₂₇N₃O₅
• 分子量: 473.528
• InChiKey: LQOWVHDXZIRHGD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  35
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  88.2
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  benzylacetylenylstannane 、 3-苯-1-丙炔 在 PdCl₂(Ph₃P)2 正丁基锂 作用下， 以 四氢呋喃 为溶剂， 生成 methyl 4-[6-(3-phenyl-prop-1-ynyl)-4-oxo-4H-pyrido[3,4-d]pyrimidin-3-ylmethyl]-benzoate 、 4-[6-(4-methoxy-benzylcarbamoyl)-1-methyl-4-oxo-1,4-dihydro-2H-quinazolin-3-ylmethyl]-benzoic acid methyl ester
  参考文献：
  名称：

  Oxo-azabicyclic compounds

  摘要：

  从以下化合物中选择的一种化合物：其中：X1、X2和X3代表N或—CR3，其中R3如说明中所述，G1代表从以下式(i/a)和(i/b)中选择的基团：其中R4、R5和R6如说明中定义，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如说明中定义，A代表一个环系统，R1代表从H、烷基、烯基、炔基、可选择地取代的基团和式(i/d)中的基团中选择的一个，其中p、Z2、B、q和G3如说明中定义，以及它的光学异构体、N-氧化物和与药用酸或碱形成的加合盐，以及含有相同的药物制剂作为第13型基质金属蛋白酶的特异性抑制剂。

  公开号：

  US20030220355A1

文献信息

• Combination of an allosteric inhibitor of matrix metalloproteinase-13 and a ligand to an alpha-2-delta receptor
  申请人：Roark Howard William

  公开号：US20050004177A1

  公开（公告）日：2005-01-06

  This invention relates to a combination of an allosteric inhibitor of matrix metalloproteinase-13, or a pharmaceutically acceptable salt thereof, and a ligand to an alpha-2-delta receptor, or a pharmaceutically acceptable salt thereof, a pharmaceutical composition comprising the combination, and a method of using the combination to treat a disease or disorder in a mammal suffering therefrom, wherein the disease or disorder is responsive to treatment in one aspect by an allosteric inhibitor of MMP-13 and in the same or a different aspect by a ligand to an alpha-2-delta receptor.

  这项发明涉及一种基质金属蛋白酶-13的变构抑制剂，或其药用盐，以及α-2-δ受体的配体，或其药用盐的组合，包括该组合的药物组合物，以及使用该组合来治疗哺乳动物患有的疾病或紊乱的方法，其中该疾病或紊乱在一方面通过MMP-13的变构抑制剂治疗，在另一方面或不同方面通过α-2-δ受体的配体治疗。
• 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.