4-氯-2-(甲基硫代)嘧啶-5-羧酸甲酯 | 38275-39-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 中文名称: 4-氯-2-(甲基硫代)嘧啶-5-羧酸甲酯
• 中文别名: 4-氯-2-甲硫基嘧啶-5-羧酸甲酯；4-氯-2-甲硫基-5-甲酸乙酯嘧啶
• 英文名称: 4-chloro-2-methylsulfanyl-pyrimidine-5-carboxylic acid methyl ester
• 英文别名: methyl 4-chloro-2-methylthio-pyrimidine-5-carboxylate；Methyl 2-Methylthio-6-chlor-5-pyrimidincarboxylat；Methyl 4-chloro-2-(methylthio)pyrimidine-5-carboxylate；methyl 4-chloro-2-methylsulfanylpyrimidine-5-carboxylate
• CAS: 38275-39-7
• 化学式: C₇H₇ClN₂O₂S
• 分子量: 218.664
• InChiKey: CWCIRKYVMLTHRR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  13
• 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：
  77.4
• 氢给体数：
  0
• 氢受体数：
  5

安全信息

• 海关编码：
  2933599090

反应信息

• 作为反应物：
  描述：

  4-氯-2-(甲基硫代)嘧啶-5-羧酸甲酯 在 potassium carbonate 、 间氯过氧苯甲酸 作用下， 以 甲醇 、 4-(dicyanomethylene)-2-methyl-6-(p-dimethylaminostyryl)-4H-pyran 、 乙腈 为溶剂， 反应 6.17h， 生成 methyl 2-(4-(tert-butoxycarbonyl)piperazin-1-yl)-4-methoxypyrimidine-5-carboxylate
  参考文献：
  名称：

  [EN] 5-PYRIMIDINECARBOXAMIDE DERIVATIVES AND METHODS OF USING THE SAME
  [FR] DÉRIVÉS D'ACÉTAMIDO-PHÉNYLTÉTRAZOLE ET LEURS MÉTHODES D'UTILISATION

  摘要：

  The present disclosure relates to compounds of Formula (I): and to their prodrugs, pharmaceutically acceptable salts, pharmaceutical compositions, methods of use, and methods for their preparation. The compounds of the present disclosure may act as small molecule splicing modulator compounds that modulate splicing of mRNA, such as pre-mRNA, encoded genes, and methods of use of the compounds for modulating splicing and treating related diseases and conditions. The compounds disclosed herein may possess activity toward various genetic pathways and are accordingly useful in methods of treatment of the human or animal body.

  公开号：

  WO2023102231A1

文献信息

• [EN] AZINE-CARBOXAMIDES AS ANTI-CANCER AGENT<br/>[FR] AZINE-CARBOXAMIDES EN TANT QU'AGENT ANTI-CANCER
  申请人：ASTRAZENECA AB

  公开号：WO2006003378A1

  公开（公告）日：2006-01-12

  The invention relates to chemical compounds, of the formula (I): or pharmaceutically acceptable salts thereof, which possess B-Raf inhibitory activity and are accordingly useful for their anti cancer activity and thus in methods of treatment of the human or animal body. The invention also relates to processes for the manufacture of said chemical compounds, to pharmaceutical compositions containing them and to their use in the manufacture of medicaments of use in the production of an anti-cancer effect in a warm blooded animal such as man.

  该发明涉及化学化合物，其化学式为(I)：或其药学上可接受的盐，具有B-Raf抑制活性，因此在抗癌活性方面有用，并且在治疗人体或动物体的方法中有用。该发明还涉及制备所述化学化合物的方法，含有它们的药物组合物以及它们在制造用于在温血动物（如人）中产生抗癌效果的药物中的用途。
• Azine-Carboxamides as Anti-Cancer Agents
  申请人：Aquila Brian

  公开号：US20070259849A1

  公开（公告）日：2007-11-08

  The invention relates to chemical compounds, of the formula (I): or pharmaceutically acceptable salts thereof, which possess B-Raf inhibitory activity and are accordingly useful for their anti cancer activity and thus in methods of treatment of the human or animal body. The invention also relates to processes for the manufacture of said chemical compounds, to pharmaceutical compositions containing them and to their use in the manufacture of medicaments of use in the production of an anti-cancer effect in a warm blooded animal such as man.

  本发明涉及化学化合物，其化学式为(I)或其药学上可接受的盐，具有B-Raf抑制活性，因此在抗癌活性和人或动物体的治疗方法中有用。本发明还涉及制造上述化学化合物的过程，含有它们的制药组合物以及它们在制造用于在温血动物（如人）中产生抗癌效果的药物的过程中的使用。
• SUBSTITUTED PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES AND THERAPEUTIC USES THEREOF
  申请人：Reddy E. Premkumar

  公开号：US20120269831A1

  公开（公告）日：2012-10-25

  Compounds useful as antiproliferative agents according to Formula (I), wherein n, A, R 1 , R 2 , and Ar 1 are as defined herein, and salts thereof; antibody conjugates, pharmaceutical compositions, methods of treatment, and synthetic methods are provided.

  提供了按照公式（I）定义的可用作抗增殖剂的化合物，其中n，A，R1，R2和Ar1如本文中所定义的，以及其盐; 还提供了抗体偶联物，制药组合物，治疗方法和合成方法。
• SUBSTITUTED DIAMINOCARBOXAMIDE AND DIAMINOCARBONITRILE PYRIMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH
  申请人：Bennett Brydon L.

  公开号：US20130029987A1

  公开（公告）日：2013-01-31

  Provided herein are Diaminopyrimidine Compounds having the following structures: wherein R 1 , R 2 , R 3 , and R 4 are as defined herein, compositions comprising an effective amount of a Diaminopyrimidine Compound, and methods for treating or preventing liver fibrotic disorders or a condition treatable or preventable by inhibition of a JNK pathway.

  本文提供以下结构的二氨基嘧啶化合物：其中R1、R2、R3和R4的定义如下，在有效量的二氨基嘧啶化合物组成物中，以及用于治疗或预防肝纤维化疾病或可通过抑制JNK途径治疗或预防的疾病的方法。
• HETEROARYL COMPOUNDS AND USES THEREOF
  申请人：Celgene Avilomics Research, Inc.

  公开号：US20130065899A1

  公开（公告）日：2013-03-14

  The present invention provides compounds, pharmaceutically acceptable compositions thereof, and methods of using the same.

  本发明提供了化合物，其药学上可接受的组合物以及使用它们的方法。