1-甲基-4-氧代喹唑啉-2-羧酸乙酯 | 88267-66-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 中文名称: 1-甲基-4-氧代喹唑啉-2-羧酸乙酯
• 英文名称: 2-ethoxycarbonyl-1-methyl-4(1H)-quinazolinone
• 英文别名: Ethyl 1-methyl-4-oxo-1,4-dihydroquinazoline-2-carboxylate；ethyl 1-methyl-4-oxoquinazoline-2-carboxylate
• CAS: 88267-66-7
• 化学式: C₁₂H₁₂N₂O₃
• 分子量: 232.239
• InChiKey: CBDKDWUIWXUANJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  59
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-甲基-4-氧代喹唑啉-2-羧酸乙酯 在 ammonium hydroxide 、 焦磷酰氯 作用下， 以 水 为溶剂， 反应 7.5h， 生成 1-甲基-2-(甲基氨基)喹唑啉-4-酮
  参考文献：
  名称：

  Ozaki, Ken-Ichi; Yamada, Yoshihisa; Oine, Toyonari, Chemical and pharmaceutical bulletin, 1983, vol. 31, # 7, p. 2234 - 2243

  摘要：

  DOI：
• 作为产物：
  描述：

  2-甲氨基苯甲酰胺 、 草酰氯单乙酯 以 氯仿 为溶剂， 反应 22.0h， 以91%的产率得到1-甲基-4-氧代喹唑啉-2-羧酸乙酯
  参考文献：
  名称：

  Ozaki, Ken-Ichi; Yamada, Yoshihisa; Oine, Toyonari, Chemical and pharmaceutical bulletin, 1983, vol. 31, # 7, p. 2234 - 2243

  摘要：

  DOI：

文献信息

• SUBSTITUTED 2- AMIDOQUINAZOL-4-ONES AS MATRIX METALLOPROTEINASE-13 INHIBITORS
  申请人：Takeda Pharmaceutical Company Limited

  公开号：US20150329556A1

  公开（公告）日：2015-11-19

  The present invention provides a novel amide derivative having a matrix metalloproteinase inhibitory activity, and useful as a pharmaceutical agent, which is a compound represented by the formula (I) wherein ring A is an optionally substituted, nitrogen containing heterocycle, ring B is an optionally substituted monocyclic homocycle or an optionally substituted monocyclic heterocycle, Z is N or NR 1 (R 1 is a hydrogen atom or an optionally substituted hydrocarbon group), is a single bond or a double bond, R 2 is a hydrogen atom or an optionally substituted hydrocarbon group, X is an optionally substituted spacer having 1 to 6 atoms, ring C is (1) an optionally substituted homocycle or (2) an optionally substituted heterocycle other than a ring represented by (II) (X′ is S, O, SO, or CH 2 ), and at least one of ring B and ring C has substituent(s), provided that N-(1S,2R)-1-(3,5-difluorobenzyl)-3-[(3-ethylbenzyl)amino]2 hydroxypropyl}5,6 dimethyl 4 oxo 1,4 dihydrothieno[2,3-d]pyrimidine-2-carboxamide is excluded, or a salt thereof.

  本发明提供了一种新型酰胺衍生物，具有基质金属蛋白酶抑制活性，并且作为药用剂是有用的，该化合物由以下式(I)表示，其中环A是一个可选择取代的含氮杂环，环B是一个可选择取代的单环同核环或可选择取代的单环杂环，Z是N或NR1（R1是氢原子或可选择取代的碳氢基团），是一个单键或双键，R2是氢原子或可选择取代的碳氢基团，X是一个具有1到6个原子的可选择取代的间隔物，环C是（1）一个可选择取代的同核环或（2）一个除了由（II）表示的环之外的可选择取代的杂环（X′是S、O、SO或CH2），并且环B和环C中至少有一个有取代基，但不包括N-(1S,2R)-1-(3,5-二氟苄基)-3-[(3-乙基苄基)氨基]2-羟基丙基}5,6-二甲基-4-氧代-1,4-二氢噻唑并[2,3-d]嘧啶-2-羧酰胺，或其盐。
• OZAKI, KEN-ICHI;YAMADA, YOSHIHISA;OINE, TOYONARI, CHEM. AND PHARM. BULL., 1983, 31, N 7, 2234-2243
  作者：OZAKI, KEN-ICHI、YAMADA, YOSHIHISA、OINE, TOYONARI

  DOI：——

  日期：——
• HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF AS AN MMP-13 INHIBITOR
  申请人：Takeda Pharmaceutical Company Limited

  公开号：EP1740551B1

  公开（公告）日：2012-09-12
• Heterocyclic Amide Compound and Use Thereof as an Mmp-13 Inhibitor(Amended Ex Officio)
  申请人：Terauchi Jun

  公开号：US20080027050A1

  公开（公告）日：2008-01-31

  The present invention provides a novel amide derivative having a matrix metalloproteinase inhibitory activity, and useful as a pharmaceutical agent, which is a compound represented by the formula (I) wherein ring A is an optionally substituted, nitrogen-containing heterocycle, ring B is an optionally substituted monocyclic homocycle or an optionally substituted monocyclic heterocycle, Z is N or NR 1 (R 1 is a hydrogen atom or an optionally substituted hydrocarbon group), is a single bond or a double bond, R 2 is a hydrogen atom or an optionally substituted hydrocarbon group, X is an optionally substituted spacer having 1 to 6 atoms, ring C is (1) an optionally substituted homocycle or (2) an optionally substituted heterocycle other than a ring represented by (II) (X′ is S, O, SO, or CH 2 ), and at least one of ring B and ring C has substituent(s), provided that N-(1S,2R)-1-(3,5-difluorobenzyl)-3-[(3-ethylbenzyl)amino]-2-hydroxypropyl}-5,6-dimethyl-4-oxo-1,4-dihadrothieno[2,3-d]pyrimidine-2-carboxamide is excluded, or a salt thereof.
• US9212149B2
  申请人：——

  公开号：US9212149B2

  公开（公告）日：2015-12-15