3-磺基-2-噻吩甲酸甲酯 | 106820-62-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩类
• 中文名称: 3-磺基-2-噻吩甲酸甲酯
• 英文名称: methyl 3-sulfino-2-thiophenecarboxylate
• 英文别名: 2-Methoxycarbonylthiophene-3-sulfinic acid
• CAS: 106820-62-6
• 化学式: C₆H₆O₄S₂
• 分子量: 206.243
• InChiKey: WKQIZYNTWJZMKC-UHFFFAOYSA-N

物化性质

• 沸点：
  454.7±55.0 °C(Predicted)
• 密度：
  1.66±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  111
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  3-磺基-2-噻吩甲酸甲酯 在 N-溴代丁二酰亚胺(NBS) 、 硫酸 、 水 、 caesium carbonate 、 三氟乙酸 、 lithium hydroxide 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 4.25h， 生成 5-bromo-3-(methylsulfonyl)thiophene-2-carboxylic acid
  参考文献：
  名称：

  [EN] THIOPHENE ULK1/2 INHIBITORS AND THEIR USE THEREOF
  [FR] INHIBITEURS THIOPHÈNES DE ULK1/2 ET LEUR UTILISATION

  摘要：

  Described herein are compounds that are ULK1/2 inhibitors and their use in the treatment of disorders such as cancers.

  公开号：

  WO2023087027A1
• 作为产物：
  描述：

  3-氯噻吩-2-羧酸 在 吡啶 、 sodium hydroxide 、 五氯化磷 、 potassium chloride 、 sodium methylate 、 sodium hydrogensulfite 、 copper(l) chloride 、 三氯氧磷 作用下， 以 甲醇 、 氯仿 、 水 为溶剂， 反应 23.17h， 生成 3-磺基-2-噻吩甲酸甲酯
  参考文献：
  名称：

  Analogs and derivatives of tenoxicam. 1. Synthesis and antiinflammatory activities of analogs with different residues on the ring nitrogen and the amide nitrogen

  摘要：

  The synthesis of tenoxicam, 4-hydroxy-2-methyl-N-2-pyridyl-2H-thieno[2,3-e]-1,2-thiazine-3-carboxami de 1,1-dioxide (1e), and of the analogues with various residues on the ring nitrogen and the amide nitrogen is described. This new class of "oxicams" has pronounced antiinflammatory and analgesic properties. The very specific structure-activity relationship of isomeric and isosteric groups at the amide nitrogen has been evaluated. The substituent in position 2 also has a great influence on the pharmacological properties. Tenoxicam is presently undergoing clinical trials.

  DOI：

  10.1021/jm00387a017

文献信息

• Analogs and derivatives of tenoxicam. 1. Synthesis and antiinflammatory activities of analogs with different residues on the ring nitrogen and the amide nitrogen
  作者：Dieter Binder、Otto Hromatka、Franz Geissler、Karl Schmied、Christian R. Noe、Kaspar Burri、Rudolf Pfister、Konrad Strub、Paul Zeller

  DOI：10.1021/jm00387a017

  日期：1987.4

  The synthesis of tenoxicam, 4-hydroxy-2-methyl-N-2-pyridyl-2H-thieno[2,3-e]-1,2-thiazine-3-carboxami de 1,1-dioxide (1e), and of the analogues with various residues on the ring nitrogen and the amide nitrogen is described. This new class of "oxicams" has pronounced antiinflammatory and analgesic properties. The very specific structure-activity relationship of isomeric and isosteric groups at the amide nitrogen has been evaluated. The substituent in position 2 also has a great influence on the pharmacological properties. Tenoxicam is presently undergoing clinical trials.
• [EN] THIOPHENE ULK1/2 INHIBITORS AND THEIR USE THEREOF<br/>[FR] INHIBITEURS THIOPHÈNES DE ULK1/2 ET LEUR UTILISATION
  申请人：[en]ERASCA, INC.

  公开号：WO2023087027A1

  公开（公告）日：2023-05-19

  Described herein are compounds that are ULK1/2 inhibitors and their use in the treatment of disorders such as cancers.