2-[2-(4-甲氧基苯基)-1,3-噻唑-4-基]乙酸 | 23353-14-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 2-[2-(4-甲氧基苯基)-1,3-噻唑-4-基]乙酸
• 中文别名: 2-(4-甲氧基苯基)噻唑-4-羧酸
• 英文名称: [2-(4-Methoxy-phenyl)-thiazol-4-yl]-acetic acid
• 英文别名: [2-(4-Methoxyphenyl)-1,3-thiazol-4-yl]acetic acid；2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetic acid
• CAS: 23353-14-2
• 化学式: C₁₂H₁₁NO₃S
• mdl: MFCD01316979
• 分子量: 249.29
• InChiKey: HWRQFRXTBPYUEK-UHFFFAOYSA-N

物化性质

• 熔点：
  105-107°C

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.166
• 拓扑面积：
  87.7
• 氢给体数：
  1
• 氢受体数：
  5

安全信息

• 危险等级：
  IRRITANT
• 海关编码：
  2934100090
• 危险标志：
  GHS07
• 危险性描述：
  H302

反应信息

• 作为反应物：
  描述：

  2-[2-(4-甲氧基苯基)-1,3-噻唑-4-基]乙酸 在 吡啶 、 ammonium hydroxide 、 potassium carbonate 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 、 丙酮 为溶剂， 反应 17.0h， 生成 3-[2-(4-methoxyphenyl)-1,3-thiazolyl-4-yl]-7-[(3-oxobutan-2-yl)oxy]-2H-chromen-2-one
  参考文献：
  名称：

  Modified Coumarins. 41. Synthesis of Substituted 6-Thiazolylpsoralens

  摘要：

  利用 Macleod 环化技术合成了呋喃并[3,2-g]色烯-7-酮体系上含有 6-(1,3-噻唑基-4-基)取代基的补骨脂素结构类似物。

  DOI：

  10.1007/s10600-019-02882-6

文献信息

• Small molecule agonists and antagonists of NR2F6 activity in animals
  申请人：Zander Therapeutics, Inc.

  公开号：US10472351B2

  公开（公告）日：2019-11-12

  The present technology is directed to modulators of nuclear receptor activity, specifically to the modulation of NR2F6 activity and NR2F6 utilizing compounds, and the immune modulation and modulation of cancer stem cell activity through administration of compounds described herein to animals.

  本技术针对核受体活性调节剂，特别是针对 NR2F6 活性调节和 NR2F6 利用化合物，以及通过对动物施用本文所述化合物进行免疫调节和癌症干细胞活性调节。
• Small molecule agonists and antagonists of NR2F6 activity
  申请人：ZANDER THERAPEUTICS, INC.

  公开号：US11377442B2

  公开（公告）日：2022-07-05

  The present technology is directed to modulators of nuclear receptor activity, specifically to the modulation of NR2F6 activity and NR2F6 utilizing compounds, and the immune modulation and modulation of cancer stem cell activity through administration of compounds described herein.

  本技术针对核受体活性调节剂，特别是针对 NR2F6 活性调节和 NR2F6 利用化合物，以及通过服用本文所述化合物进行免疫调节和癌症干细胞活性调节。
• SMALL MOLECULE AGONISTS AND ANTAGONISTS OF NR2F6 ACTIVITY IN ANIMALS
  申请人：ZANDER THERAPEUTICS, INC.

  公开号：US20200071307A1

  公开（公告）日：2020-03-05

  The present technology is directed to modulators of nuclear receptor activity, specifically to the modulation of NR2F6 activity and NR2F6 utilizing compounds, and the immune modulation and modulation of cancer stem cell activity through administration of compounds described herein to animals.
• [EN] SMALL MOLECULE AGONISTS AND ANTAGONISTS OF NR2F6 ACTIVITY IN NON-HUMANS<br/>[FR] AGONISTES ET ANTAGONISTES À PETITES MOLÉCULES DE L'ACTIVITÉ DE NR2F6 CHEZ DES NON-HUMAINS
  申请人：ZANDER THERAPEUTICS INC

  公开号：WO2019104201A1

  公开（公告）日：2019-05-31

  The present technology is directed to modulators of nuclear receptor activity, specifically to the modulation of NR2F6 activity and NR2F6 utilizing compounds, and the immune modulation and modulation of cancer stem cell activity through administration of compounds described herein. In certain embodiments the present disclosure is directed to methods of using small molecule compounds as immune modulators.
• [EN] SMALL MOLECULE AGONISTS AND ANTAGONISTS OF NR2F6 ACTIVITY<br/>[FR] AGONISTES ET ANTAGONISTES À PETITES MOLÉCULES DE L'ACTIVITÉ DE NR2F6
  申请人：REGEN BIOPHARMA INC

  公开号：WO2019104199A1

  公开（公告）日：2019-05-31

  The present technology is directed to modulators of nuclear receptor activity, specifically to the modulation of NR2F6 activity and NR2F6 utilizing compounds, and the immune modulation and modulation of cancer stem cell activity through administration of compounds described herein. In certain embodiments the present disclosure is directed to methods of using small molecule compounds as immune modulators.