6,7-Dimethyl-chinazolin-4(3H)-on | 31867-91-1

• 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-Dimethyl-chinazolin-4(3H)-on
• 英文别名: 6,7-dimethyl-3H-quinazolin-4-one；6,7-Dimethyl-3H-chinazolin-4-on；6,7-Dimethylquinazolin-4(3H)-one；6,7-dimethyl-3H-quinazolin-4-one
• CAS: 31867-91-1
• 化学式: C₁₀H₁₀N₂O
• 分子量: 174.202
• InChiKey: NENKSOAVCJYFRU-UHFFFAOYSA-N

物化性质

• 沸点：
  347.2±52.0 °C(Predicted)
• 密度：
  1.23±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  41.5
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  6,7-Dimethyl-chinazolin-4(3H)-on 在 盐酸 、 氢溴酸 、 sodium methylate 作用下， 生成 3-[3-(3-hydroxy-[2]piperidyl)-2-oxo-propyl]-6,7-dimethyl-3H-quinazolin-4-one
  参考文献：
  名称：

  AN ANTIMALARIAL ALKALOID FROM HYDRANGEA. XV. SYNTHESIS OF 5-, 6-, 7-, AND 8-DERIVATIVES WITH TWO IDENTICAL SUBSTITUENTS

  摘要：

  DOI：

  10.1021/jo01135a015
• 作为产物：
  描述：

  2-氨基-4,5-二甲基苯甲酸 、 formamide 生成 6,7-Dimethyl-chinazolin-4(3H)-on
  参考文献：
  名称：

  AN ANTIMALARIAL ALKALOID FROM HYDRANGEA. XV. SYNTHESIS OF 5-, 6-, 7-, AND 8-DERIVATIVES WITH TWO IDENTICAL SUBSTITUENTS

  摘要：

  DOI：

  10.1021/jo01135a015

文献信息

• THERAPEUTIC COMPOUNDS AND USES THEREOF
  申请人：Kala Pharmaceuticals, Inc.

  公开号：US20140235634A1

  公开（公告）日：2014-08-21

  Described herein are compounds of Formula (I) or Formula (VI), pharmaceutically acceptable salts thereof, and pharmaceutical compositions thereof. Also provided are particles (e.g., nanoparticles) comprising compounds of Formula (I) or Formula (VI) and pharmaceutical compositions thereof that are mucus penetrating. Methods of using the compounds or pharmaceutical compositions thereof for treating diseases are also provided.

  本文描述了公式（I）或公式（VI）的化合物，其药学上可接受的盐以及其药物组合物。还提供了包含公式（I）或公式（VI）化合物及其药物组合物的微粒（例如，纳米颗粒），这些微粒具有穿透黏液的特性。还提供了使用这些化合物或药物组合物治疗疾病的方法。
• COUPLING COMPOUNDS OF NSAID ANTI-INFLAMMATORY AND ANALGESIC DRUGS AND EGFR KINASE INHIBITORS, SYNTHESIS METHODS AND APPLICATIONS THEREOF
  申请人：Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

  公开号：US20160175453A1

  公开（公告）日：2016-06-23

  The present invention discloses coupling compounds of a structure as shown in Formula I, II or III formed by connecting NSAID anti-inflammatory and analgesic drugs and EGFR inhibitors by ester bonds or pharmaceutically acceptable salts or stereoisomers thereof or prodrug molecules thereof: where R is a NSAID anti-inflammatory and analgesic drug. In the present invention, the coupling compounds obtained by coupling NSAID anti-inflammatory and analgesic drugs with EGFR inhibitors have excellent therapeutic effects of tumors and provide new drugs for clinic treatment options.

  本发明揭示了一种结构如公式I、II或III所示的偶联化合物，通过酯键或药用可接受的盐或其立体异构体或其前药分子连接非甾体类抗炎镇痛药和EGFR抑制剂而形成：其中R为非甾体类抗炎镇痛药。在本发明中，通过将非甾体类抗炎镇痛药与EGFR抑制剂偶联而获得的偶联化合物具有出色的肿瘤治疗效果，并为临床治疗提供了新的药物选择。
• PROCESS FOR THE PREPARATION OF ERLOTINIB
  申请人：CERBIOS-PHARMA SA

  公开号：US20160115137A1

  公开（公告）日：2016-04-28

  A process for the preparation of Erlotinib is disclosed in which the compound of formula (II) Is reacted with the compound of formula (III) and the reaction product is subsequently treated with a source of hydrochloric acid in a suitable solvent to give Erlotinib hydrochloride.

  公开了一种制备厄洛替尼的方法，其中式（II）化合物与式（III）化合物反应，随后在适当的溶剂中用氯化氢源处理反应产物，从而得到厄洛替尼盐酸盐。
• Process of Preparing a Quinazoline Derivative
  申请人：SCINOPHARM (CHANGESHU) OHARMACEUTICALS, LTD.

  公开号：US20160200688A1

  公开（公告）日：2016-07-14

  A concise, efficient and cost- and time-saving process for the preparation of a quinazoline derivative of formula A given below: which is an intermediate for making gefitinib or gefitinib itself, comprising reacting a compound of Formula B: with 3-chloro-4-fluoroaniline (VI) in the presence of a N,N-dialkyl formamide acetal, a Bronsted acid catalyst, and a solvent in a one-pot reaction.

  一种制备以下式子A的喹唑啉衍生物的简洁、高效、节约成本和时间的方法： 其中A是制备吉非替尼或吉非替尼中间体的一种，包括在N，N-二烷基甲酰胺缩醛、布朗斯特酸催化剂和溶剂的存在下，将式子B的化合物与3-氯-4-氟苯胺（VI）在单锅反应中反应。
• PURE ERLOTINIB
  申请人：GENERICS [UK] LIMITED

  公开号：US20150111847A1

  公开（公告）日：2015-04-23

  The present invention relates to processes for the preparation of erlotinib and salts and polymorphs thereof preparable by said processes, to medical uses of said erlotinib, salts and polymorphs, and to pharmaceutical compositions comprising the same.

  本发明涉及制备厄洛替尼及其盐和多晶型的工艺，以及由该工艺可制备的厄洛替尼、盐和多晶型的医药用途，以及包含它们的制药组合物。