2-甲基吡啶并[4,3-d]嘧啶-4(1H)-酮 | 16952-45-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶并嘧啶类
• 中文名称: 2-甲基吡啶并[4,3-d]嘧啶-4(1H)-酮
• 中文别名: 2-甲基吡啶并[4,3-D]嘧啶-4(3H)-酮
• 英文名称: 2-methyl-3H-pyrido<4,3-d>pyrimidin-4-one
• 英文别名: 2-Methyl-3H-pyrido<4.3-d>pyrimidinon-(4)；2-methyl-3H-pyrido[4,3-d]pyrimidin-4-one；2-Methylpyrido[4,3-d]pyrimidin-4(3H)-one；2-methyl-3H-pyrido[4,3-d]pyrimidin-4-one
• CAS: 16952-45-7
• 化学式: C₈H₇N₃O
• 分子量: 161.163
• InChiKey: QFIRLJWKTODOBH-UHFFFAOYSA-N

物化性质

• 沸点：
  340.8±34.0 °C(Predicted)
• 密度：
  1.40±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.4
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  54.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  5,6,7,8-四氢-2-甲基-吡啶并[4,3-d]嘧啶-4(3h)-酮 在 palladium on activated charcoal 硝基苯 作用下， 反应 17.0h， 以63%的产率得到2-甲基吡啶并[4,3-d]嘧啶-4(1H)-酮
  参考文献：
  名称：

  Huber, Imre; Fueloep, Ferenc; Lazar, Janos, Journal of the Chemical Society. Perkin transactions I, 1992, # 1, p. 157 - 162

  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。
• 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
• US9475822B2
  申请人：——

  公开号：US9475822B2

  公开（公告）日：2016-10-25