3-(3,4-dihydro-5-bromo-2,4-dioxopyrimidin-1(2H)-yl)propanoic acid | 22384-58-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 3-(3,4-dihydro-5-bromo-2,4-dioxopyrimidin-1(2H)-yl)propanoic acid
• 英文别名: β-(5-Brom-uracilyl-3)-propionsaeure；3-(3,4-dihydro-5-bromo-2,4-dioxo-(2H)pyrimidin-1-yl)propanoic acid；3-(5-bromo-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-propionic acid；3-(5-bromo-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanoic acid；3-(5-bromo-2,4-dioxopyrimidin-1-yl)propanoic acid
• CAS: 22384-58-3
• 化学式: C₇H₇BrN₂O₄
• 分子量: 263.048
• InChiKey: QPUZMEJUORRXBG-UHFFFAOYSA-N

物化性质

• 熔点：
  248-249 °C
• 密度：
  1.866±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.4
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  86.7
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-十六烷醇 、 3-(3,4-dihydro-5-bromo-2,4-dioxopyrimidin-1(2H)-yl)propanoic acid 在 N,N'-二环己基碳二亚胺 作用下， 以 四氢呋喃 为溶剂， 反应 0.17h， 以80%的产率得到hexadecyl 3-(5-bromo-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanoate
  参考文献：
  名称：

  [EN] FATTY ACID SYNTHASE INHIBITORS AND METHODS OF USE
  [FR] INHIBITEURS DE LA SYNTHASE D'ACIDES GRAS, ET MÉTHODES D'UTILISATION

  摘要：

  本公开提供了一种治疗受试者癌症的方法。在某些实施例中，该方法包括向受试者施用治疗有效量的脂肪酸合酶抑制剂，或其药用接受的盐或前药。

  公开号：

  WO2018170509A1
• 作为产物：
  描述：

  3-(3,4-dihydro-5-bromo-2,4-dioxo-(2H)pyrimidin-1-yl)propanoic acid methyl ester 在 盐酸 、 水 作用下， 反应 0.5h， 生成 3-(3,4-dihydro-5-bromo-2,4-dioxopyrimidin-1(2H)-yl)propanoic acid
  参考文献：
  名称：

  对称和不对称的 alpha,omega-核碱基酰胺共轭系统。

  摘要：

  我们介绍了几种新型对称和不对称 α、ω-核碱基单-和双-酰胺共轭系统的合成和选定的物理化学性质，这些系统包含脂肪族、芳香族或糖类键。合成的最后阶段涉及带有羧基的亚单元与胺亚单元的缩合。发现 4-(4,6-二甲氧基-1,3,5-三嗪-2-基)-4-甲基吗啉氯化物 (DMT-MM) 是一种特别有效的缩合剂。含有羧基的亚基通过尿嘧啶的N-1迈克尔加合物或6-氯嘌呤的N-9迈克尔加合物与丙烯酸甲酯的酸水解获得。使用的胺是脂肪族/芳香族二胺、腺嘌呤、5-取代的1-(ω-氨基烷基)尿嘧啶和5'-氨基-2',5'-二脱氧胸苷。标题化合物可用作抗原生动物剂。此外，超分子行为的初步显微镜 TEM 研究表明，具有双亲结构的目标分子能够形成高度有序的组件，主要是纳米纤维。

  DOI：

  10.3762/bjoc.6.34

文献信息

• NOVEL HETEROCYCLIC COMPOUNDS AND USE THEREOF IN MEDICINE AND IN COSMETICS
  申请人：GALDERMA RESEARCH & DEVELOPMENT

  公开号：US20180050992A1

  公开（公告）日：2018-02-22

  The invention relates to novel heterocyclic compounds of general formula (I), as well as their pharmaceutically acceptable salts, and their enantiomers. The invention also relates to the use thereof as a medicinal product, preferably in the prevention and/or treatment of inflammatory diseases with a neurogenic component or use thereof as a cosmetic. The compounds of the present invention act as antagonists of the CGRP-R receptor.

  这项发明涉及一般式(I)的新型杂环化合物，以及它们的药用盐和对映体。该发明还涉及将其用作药物产品，优选用于预防和/或治疗具有神经源性成分的炎症性疾病，或将其用作化妆品。本发明的化合物作为CGRP-R受体的拮抗剂。
• Heterocyclic compounds and use thereof in medicine and in cosmetics
  申请人：GALDERMA RESEARCH & DEVELOPMENT

  公开号：US10246422B2

  公开（公告）日：2019-04-02

  The invention relates to novel heterocyclic compounds of general formula (I), as well as their pharmaceutically acceptable salts, and their enantiomers. The invention also relates to the use thereof as a medicinal product, preferably in the prevention and/or treatment of inflammatory diseases with a neurogenic component or use thereof as a cosmetic. The compounds of the present invention act as antagonists of the CGRP-R receptor.

  本发明涉及通式（I）的新型杂环化合物及其药学上可接受的盐类，以及它们的对映体。本发明还涉及其作为医药产品的用途，优选用于预防和/或治疗具有神经源成分的炎症性疾病，或用作化妆品。本发明的化合物可作为 CGRP-R 受体的拮抗剂。
• Fatty acid synthase inhibitors and methods of use
  申请人：Hampton University

  公开号：US10556872B2

  公开（公告）日：2020-02-11

  The present disclosure provides for methods of treating cancer in a subject. In certain embodiments, the method comprises administering a therapeutically effective amount of an inhibitor of fatty acid synthase, or a pharmaceutically acceptable salt or prodrug thereof.

  本公开提供了治疗受试者癌症的方法。在某些实施方案中，该方法包括施用治疗有效量的脂肪酸合酶抑制剂或其药学上可接受的盐或原药。
• Novel Acyclic Amide-Conjugated Nucleosides and Their Analogues
  作者：Slawomir Boncel、Krzysztof Walczak

  DOI：10.1080/15257770902736467

  日期：2009.3.11

  An effective one-step synthesis of new amide-conjugated nucleosides and their analogues, in the presence of 4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholinium chloride (DMT-MM) as the condensing agent, is presented. Substrate subunits carrying carboxylic group were obtained by acidic hydrolysis of Michael-type adducts of various 5-substituted uracil derivatives to methyl acrylate. Amine substrate was synthesized by reduction of 1-(2'-cyanoethyl)thymine with sodium borohydride in the presence of nickel (II) chloride as catalyst. Other applied amine substrates were 5'-amino-5'-deoxythymidine and 5-aminouracil.
• FATTY ACID SYNTHASE INHIBITORS AND METHODS OF USE
  申请人：Hampton University

  公开号：US20180265479A1

  公开（公告）日：2018-09-20

  The present disclosure provides for methods of treating cancer in a subject. In certain embodiments, the method comprises administering a therapeutically effective amount of an inhibitor of fatty acid synthase, or a pharmaceutically acceptable salt or prodrug thereof.