Morpholino-2-methyl-4-chinazolon | 3552-64-5

• 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: Morpholino-2-methyl-4-chinazolon
• 英文别名: 2-morpholin-4-ylmethyl-3H-quinazolin-4-one；2-[(Morpholin-4-yl)methyl]-3,4-dihydroquinazolin-4-one；2-(morpholin-4-ylmethyl)-3H-quinazolin-4-one
• CAS: 3552-64-5
• 化学式: C₁₃H₁₅N₃O₂
• mdl: MFCD02930985
• 分子量: 245.281
• InChiKey: RXDXFLNNVDAKDC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.384
• 拓扑面积：
  53.9
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  Morpholino-2-methyl-4-chinazolon 在 劳森试剂 、 甲醇 、 氢化钾 作用下， 以 1,4-二氧六环 为溶剂， 生成 2-(2-morpholin-4-ylmethyl-quinazolin-4-ylthio)-N-phenylacetamide
  参考文献：
  名称：

  2-Alkyl(aryl)-quinazolin-4(3H)-thiones, 2-R-(quinazolin-4(3H)-ylthio)carboxylic acids and amides: synthesis, molecular docking, antimicrobial and anticancer properties

  摘要：

  In this study, a series of novel 2-alkyl(aryl)-quinazolin-4(3H)-thiones, 2-R-(quinazolin-4(3H)-ylthio)carboxylic acids and amides were synthesized and evaluated for antimicrobial and anticancer activities. Their structure was confirmed by elemental analysis and spectral data (FT-IR, LC-MS, H-1-NMR). Antimicrobial activity was tested in vitro against Staphylococcus aureus, Enterococcus faecalis, Enterobacter aerogenes, Pseudomonas aeruginosa, Escherichia coli, Klebsiella pneumonia, Candida albicans and NCI in vitro preliminary anticancer activity against nine different cancer types. The most active antibacterial and antifungal compounds were: 2.1, 2.2 and 2.4. The introduction of the carboxylic acid or amide residue into the fourth position of quinazolin-4(3H)-thione resulted in the absence of antimicrobial activity. Substance 3.8 inhibited renal cancer UO-31 line and 2.18 - leukemia CCRF-CEM. The results of in silico molecular docking for DHFR and CK2 kinase had no correlation with in vitro properties, proposing the presence of other biological activity pathways.

  DOI：

  10.3109/14756366.2015.1018243

文献信息

• COMPOUNDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES
  申请人：Wong Norman C.W.

  公开号：US20080188467A1

  公开（公告）日：2008-08-07

  The present disclosure relates to compounds, which are useful for regulating the expression of apolipoprotein A-I (ApoA-I), and their use for treatment and prevention of cardiovascular disease and related disease states, including cholesterol- or lipid-related disorders, such as, for example, atherosclerosis.

  本公开涉及化合物，这些化合物可用于调节载脂蛋白A-I（ApoA-I）的表达，以及它们用于治疗和预防心血管疾病及相关疾病状态，包括胆固醇或脂质相关紊乱，例如，动脉粥样硬化。
• TREATMENT OF DISEASES BY EPIGENETIC REGULATION
  申请人：McLure Kevin G.

  公开号：US20130281397A1

  公开（公告）日：2013-10-24

  The present disclosure provides non-naturally occurring polyphenol compounds that inhibit the bromodomain and extra terminal domain (BET) proteins. The disclosed compositions and methods can be used for treatment and prevention of cancer, including NUT midline carcinoma, Burkitt's Lymphoma, Acute Myelogenous Leukemia, and Multiple Myeloma; autoimmune or inflammatory diseases or conditions, and sepsis.

  本公开提供了抑制溴结构域和额外末端结构域（BET）蛋白的非天然存在的多酚化合物。所公开的组合物和方法可用于治疗和预防癌症，包括NUT中线癌、Burkitt淋巴瘤、急性髓系白血病和多发性骨髓瘤；自身免疫或炎症性疾病或症状，以及败血症。
• A New One-Step Route for the Synthesis of Fused Pyrido[1,2-<i>a</i>]pyrimidin-4-ones
  作者：Dmitriy Volochnyuk、Andrey Plaskon、Sergey Ryabukhin、Andrey Tolmachev

  DOI：10.1055/s-2008-1066988

  日期：——

  variety of 2-methylpyrimidin-4(3 H)-ones promoted by chlorotrimethylsilane was investigated. A simple and flexible general procedure for the synthesis of a series of fused pyrido[1,2- A]pyrimidin-4-ones is proposed. A set of functionally and structurally diverse pyrido[1,2- A]pyrimidin-4-ones were obtained in high yields.

  研究了三甲基氯硅烷促进的3-甲酰色酮与多种2-甲基嘧啶-4(3 H)-酮的环化反应。提出了一种用于合成一系列稠合吡啶并[1,2-A]嘧啶-4-酮的简单灵活的通用程序。以高产率获得了一组功能和结构多样的吡啶并[1,2-A]嘧啶-4-酮。
• Melanocortin-4 receptor binding compounds and methods of use thereof
  申请人：Vos Tricia J.

  公开号：US20080269217A1

  公开（公告）日：2008-10-30

  Provided are MC4-R binding compounds of the formula XVII: wherein L 2 is a linker group, and P 1 , P 2 , P 3 , P 4 , Z 1 , Z 2 , Z 3 , Z 4 , Z 5 , t, s, and R are as described in the specification. Methods of using the compounds to treat MC4-R associated disorders, such as disorders associated with weight loss, are also provided.

  提供的是公式XVII的MC4-R结合化合物： 其中L2是连接基团，而P1，P2，P3，P4，Z1，Z2，Z3，Z4，Z5，t，s和R如规范所述。还提供了使用这些化合物治疗MC4-R相关疾病的方法，例如与体重减轻相关的疾病。
• COMPOSITIONS AND THERAPEUTIC METHODS FOR ACCELERATED PLAQUE REGRESSION
  申请人：LEBIODA Kenneth Eugene

  公开号：US20160346291A1

  公开（公告）日：2016-12-01

  The invention comprises methods for treating and/or preventing cardiovascular, cholesterol, and lipid related disorders, including atherosclerosis, through-co-administration of therapeutically effective amounts of a compound of Formula I or a pharmaceutically acceptable salt thereof and rosuvastatin or pravastatin or a pharmaceutically acceptable salt of rosuvastatin or pitavastatin. The invention further provides compositions comprising a therapeutically effective amount of a compound of Formula I or a pharmaceutically acceptable salt thereof and a therapeutically effective amount of or pitavastatin or a pharmaceutically acceptable salt of rosuvastatin or pitavastatin.