1-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid | 14383-42-7

• 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: 1-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid
• 英文别名: 1-methyl-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid；1-Methyl-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-carbonsaeure；1-Methyl-5-carboxyuracil；5-Carboxy-1-methyluracil；1-methyl-2,4-dioxopyrimidine-5-carboxylic acid
• CAS: 14383-42-7
• 化学式: C₆H₆N₂O₄
• mdl: MFCD11099499
• 分子量: 170.125
• InChiKey: POFQIFXCMBGLKO-UHFFFAOYSA-N

物化性质

• 熔点：
  266 °C (decomp)
• 密度：
  1.545±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.5
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.166
• 拓扑面积：
  86.7
• 氢给体数：
  2
• 氢受体数：
  4

安全信息

• 海关编码：
  2933599090

反应信息

• 作为反应物：
  描述：

  1-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid 生成 1-甲基尿嘧啶
  参考文献：
  名称：

  Atkinson et al., Journal of the Chemical Society, 1957, p. 2363,2365

  摘要：

  DOI：
• 作为产物：
  描述：

  在 水 、 溶剂黄146 作用下， 反应 0.33h， 以246 mg的产率得到1-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid
  参考文献：
  名称：

  New Uracil Dimers Showing Erythroid Differentiation Inducing Activities

  摘要：

  The synthesis of C5 linked uracil dimers was carried out according to a model developed in order to bind adenine in DNA. NI-Alkylated uracil derivatives were synthesized from isoorotic acid (uracil-5-carboxylic acid) or thymine. The carboxylic acid derivatives were condensed with diamines in order to produce dimeric compounds or with monoamines in order to obtain reference monomeric compounds. Some of the derivatives, in particular the uracil dimers, showed antiproliferative and erythroid differentiation induction properties towards human chronic myelogenous leukemia K562 cells, thus indicating that these compounds could represent a new class of drugs useful for the development of antitumor therapy based on the ability to induce terminal differentiation.

  DOI：

  10.1021/jm800982q

文献信息

• [EN] COMPOUND HAVING AXL AND C-MET KINASE INHIBITORY ACTIVITY, PREPARATION THEREOF AND APPLICATION THEREOF<br/>[FR] COMPOSÉ AYANT UNE ACTIVITÉ INHIBITRICE DE LA KINASE AXL ET DE LA KINASE C-MET, SA PRÉPARATION ET SON APPLICATION<br/>[ZH] 具有Axl与c-Met激酶抑制活性的化合物及其制备和应用
  申请人：SHANGHAI INST MATERIA MEDICA CAS

  公开号：WO2021043217A1

  公开（公告）日：2021-03-11

  一种具有Axl与c-Met激酶抑制活性的化合物及其制备方法和应用。具体地，具有式(I)所示结构的化合物、其制备方法及其在制备治疗和/或预防肿瘤相关疾病和/或激酶相关疾病的药物中的应用。
• METHODS OF PREPARING LIPID NANOPARTICLES
  申请人：Modernatx, Inc.

  公开号：EP3917503A1

  公开（公告）日：2021-12-08
• JPS6110565A
  申请人：——

  公开号：JPS6110565A

  公开（公告）日：1986-01-18
• SUBSTRATE REDUCTION THERAPY
  申请人：The Chancellor, Masters and Scholars of the University of Oxford

  公开号：US20140080769A1

  公开（公告）日：2014-03-20

  The present invention provides a compound which is an inhibitor of sphingolipid biosynthesis for use in the treatment of a disease which has a secondary Niemann-Pick type C disease like cellular phenotype.
• US5721234A
  申请人：——

  公开号：US5721234A

  公开（公告）日：1998-02-24