6,7-dimethoxy-2,4-dimethylquinazoline | 4101-17-1

• 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: 6,7-dimethoxy-2,4-dimethylquinazoline
• CAS: 4101-17-1
• 化学式: C₁₂H₁₄N₂O₂
• 分子量: 218.255
• InChiKey: XBRWJBSVGCMMKN-UHFFFAOYSA-N

物化性质

• 熔点：
  112-114 °C
• 沸点：
  279.7±40.0 °C(Predicted)
• 密度：
  1.145±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  44.2
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2'-氨基-4',5'-二甲氧基苯乙酮 、 原乙酸三乙酯 在 ammonium acetate 作用下， 以 neat (no solvent) 为溶剂， 反应 2.0h， 以82%的产率得到6,7-dimethoxy-2,4-dimethylquinazoline
  参考文献：
  名称：

  无溶剂和无催化剂条件下高效三组分一锅法合成喹唑啉

  摘要：

  已经开发出在没有溶剂和催化剂的情况下合成喹唑啉的有效绿色方案。由2-氨基芳基酮，原酸酯和乙酸铵的三组分一锅法反应合成了2,4-二取代的喹唑啉。本方法具有操作简单，底物通用，反应干净，收率高（76-94％）和反应时间适中的优点。基于分离的中间体的光谱表征和单晶X射线分析，提出了反应的合理机理。

  DOI：

  10.1002/jhet.2220

文献信息

• [EN] ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE-1 (ENPP1) INHIBITORS AND USES THEREOF<br/>[FR] INHIBITEURS D'ECTONUCLÉOTIDE PYROPHOSPHATASE-PHOSPHODIESTÉRASE 1 (ENPP1) ET LEURS UTILISATIONS
  申请人：INTEGRAL BIOSCIENCES PRIVATE LTD

  公开号：WO2022091048A1

  公开（公告）日：2022-05-05

  The present invention discloses compounds useful in treatment of conditions associated with dysfunction of ectonucleotide pyrophosphatase / phosphodiesterase-1 (ENPP1) enzyme. Specifically, the present invention discloses compound of formula (J) which exhibit inhibitory activity against ENPP1. Method of treating conditions associated with over-expression of ENPP1 gene with such compound is disclosed. Uses thereof, pharmaceutical composition, and kits are also disclosed.

  本发明揭示了在治疗与外核苷酸焦磷酸酶/磷酸二酯酶-1 (ENPP1)酶功能障碍相关的疾病中有用的化合物。具体而言，本发明揭示了公式（J）的化合物，这些化合物表现出对ENPP1的抑制活性。揭示了使用这种化合物治疗与ENPP1基因过度表达相关的疾病的方法。还揭示了其用途、制药组合物和试剂盒。
• COMPOUNDS
  申请人：Hummersone Marc Geoffrey

  公开号：US20100130473A1

  公开（公告）日：2010-05-27

  Compounds of formula (I): A-B—C and isomers, salts, solvates, chemically protected forms, and prodrugs thereof wherein: B is selected from the group consisting of formula (i) where R N is H or Me; or B is a divalent C 5 heterocyclic residue containing one or two ring heteroatoms; A is formula (ii) R A3 and R A5 are independently selected from halo, OR O and R AC , where R O is H or Me, and R AC is H or C 1-4 alkyl; X A is selected from N and CR A4 , where R A4 is selected from H, OR O , CH 2 OH, CO 2 H, NHSO 2 Me and NHCOMe; R A2 and R A6 are independently selected from H, halo and OR O ; or R A3 and R A4 together with the carbon atoms to which they are attached, or RA2 and R A3 together with the carbon atoms to which they are attached, may form a C 5-6 heterocylic or heteroaromatic ring, containing at least one nitrogen ring atom; where if X is not N, 1, 2, or 3 of R A2 to R A6 are not H; C is formula (iii) where X is selected from N and CH, Y is selected from N and CH, and Z is selected from N and CR C6 ; R C3 is selected from H, halo and an optionally substituted N-containing C 5-7 heterocyclic group; R C5 is a group selected from formula (iv) which group may be selected by one or two C 1-4 alkyl groups or a carboxy group; R C6 is H; or, when X and Y are N, R C5 and R C6 (when Z is CR C6 ) together with the carbon atoms to which they are attached may form a fused C 6 aromatic ring selected from the group consisting of formula (v).

  化合物的化学式（I）：A-B-C及其异构体，盐，溶剂合物，化学保护形式和前药，其中：B选自式（i）的群，其中RN为H或Me；或B是含有一个或两个环杂原子的二价C5杂环残基；A为式（ii）RA3和RA5分别独立选择自卤，ORO和RAC，其中RO为H或Me，而RAC为H或C1-4烷基；XA选自N和CRA4，其中RA4选自H，ORO，CH2OH，CO2H，NHSO2Me和NHCOMe；RA2和RA6分别独立选择自H，卤和ORO；或RA3和RA4与它们附着的碳原子一起，或RA2和RA3与它们附着的碳原子一起，可以形成一个含有至少一个氮环原子的C5-6杂环或杂芳烃环；如果XA不是N，则RA2至RA6中的1、2或3个不是H；C为式（iii）其中X选自N和CH，Y选自N和CH，Z选自N和CRC6；RC3选自H，卤和一个可选取代的含N的C5-7杂环基团；RC5是从式（iv）中选择的一个或两个C1-4烷基或羧基；RC6为H；或当X和Y为N时，RC5和RC6（当Z为CRC6时）与它们附着的碳原子一起可以形成所选自式（v）的群中的融合C6芳香环。