4-(2-(2-propylpyridin-4-yl)thiazol-4-yl)phenyl benzoate | 1046045-53-7

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 缩酚酸和缩酚酸环醚类
• 英文名称: 4-(2-(2-propylpyridin-4-yl)thiazol-4-yl)phenyl benzoate
• 英文别名: [4-[2-(2-Propylpyridin-4-yl)-1,3-thiazol-4-yl]phenyl] benzoate
• CAS: 1046045-53-7
• 化学式: C₂₄H₂₀N₂O₂S
• 分子量: 400.501
• InChiKey: UTQIDXTXWUQIBV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.8
• 重原子数：
  29
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  80.3
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4-(2-(2-propylpyridin-4-yl)thiazol-4-yl)phenyl benzoate 在 水 、 potassium hydroxide 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 0.5h， 以80%的产率得到4-(2-(2-propylpyridin-4-yl)thiazol-4-yl)phenol
  参考文献：
  名称：

  Synthesis and Evaluation of Diarylthiazole Derivatives That Inhibit Activation of Sterol Regulatory Element-Binding Proteins

  摘要：

  Fatostatin, a recently discovered small molecule that inhibits activation of sterol regulatory element-binding protein (SREBP), blocks biosynthesis and accumulation of fat in obese mice. We synthesized and evaluated a series of fatostatin derivatives. Our structure-activity relationships led to the identification of N-(4-(2-(2-propylpyridin-4-yl)thiazol-4-yl)phenyl)methanesulfonamide (24, FGH10019) as the most potent druglike molecule among the analogues tested. Compound 24 has high aqueous solubility and membrane permeability and may serve as a seed molecule for further development.

  DOI：

  10.1021/jm200304y
• 作为产物：
  描述：

  丙硫异烟胺 、 Phenyl 4-(2-bromoacetyl)benzoate 以 乙醇 为溶剂， 反应 18.0h， 以85%的产率得到4-(2-(2-propylpyridin-4-yl)thiazol-4-yl)phenyl benzoate
  参考文献：
  名称：

  Synthesis and Evaluation of Diarylthiazole Derivatives That Inhibit Activation of Sterol Regulatory Element-Binding Proteins

  摘要：

  Fatostatin, a recently discovered small molecule that inhibits activation of sterol regulatory element-binding protein (SREBP), blocks biosynthesis and accumulation of fat in obese mice. We synthesized and evaluated a series of fatostatin derivatives. Our structure-activity relationships led to the identification of N-(4-(2-(2-propylpyridin-4-yl)thiazol-4-yl)phenyl)methanesulfonamide (24, FGH10019) as the most potent druglike molecule among the analogues tested. Compound 24 has high aqueous solubility and membrane permeability and may serve as a seed molecule for further development.

  DOI：

  10.1021/jm200304y

文献信息

• COMPOSITIONS AND METHODS FOR THE TREATMENT OF METABOLIC DISORDERS
  申请人：Uesugi Motonari

  公开号：US20130012538A1

  公开（公告）日：2013-01-10

  The present invention relates to treatment and/or prevention of one or more metabolic disorders utilizing fatostatin A and/or a derivative and/or analog thereof. In other aspects, the compound for treatment and/or prevention of one or more metabolic disorders utilizes an A-B-C tripartite structure, wherein A, B, and C are identical or non-identical structures and are described in detail herein. In specific aspects, the metabolic disorder includes obesity or diabetes, for example.

  本发明涉及利用fatostatin A及/或其衍生物和/或类似物治疗和/或预防一种或多种代谢性疾病。在其他方面，治疗和/或预防一种或多种代谢性疾病的化合物利用A-B-C三部分结构，其中A、B和C是相同或不相同的结构，并在此详细描述。在具体方面，代谢性疾病包括肥胖症或糖尿病，例如。
• Compositions and Methods for the Treatment of Metabolic and Related Disorders
  申请人：Uesugi Motonari

  公开号：US20140038984A1

  公开（公告）日：2014-02-06

  The present invention relates to the compound for treatment and/or prevention of one or more metabolic disorders utilizes an A-B-C tripartite structure, wherein A, B, and C are identical or non-identical structures, for example, but not limited to, heterocyclic, phenyl or benzyl ring structures with or without substitutions and are described in detail herein. Also provided are methods for the treatment and/or prevention of one or more metabolic disorders, for example, obesity or diabetes, utilizing fatostatin A and/or a derivative and/or analog thereof and/or the A-B-C tripartite compounds.

  本发明涉及一种用于治疗和/或预防一种或多种代谢性疾病的化合物，其利用A-B-C三部分结构，其中A、B和C是相同或不同的结构，例如，但不限于，含有或不含有取代的杂环、苯基或苯甲基环结构，并在此详细描述。本发明还提供了使用fatostatin A和/或其衍生物和/或类似物和/或A-B-C三部分化合物治疗和/或预防一种或多种代谢性疾病，例如肥胖症或糖尿病的方法。
• Methods and Compositions for the Treatment of Cancer and Related Hyperproliferative Disorders
  申请人：Uesugi Motonari

  公开号：US20140045854A1

  公开（公告）日：2014-02-13

  The present invention relates to methods of treating a disease related to cell hyper-proliferation via administration of a therapeutically effective amount of a compound having a general tripartite structure A-B-C. In the tripartite structure A, B, and C are identical or non-identical structures, for example, but not limited to, heterocyclic, phenyl or benzyl ring structures with or without substitutions and are described in detail herein. The methods may utilize particular compounds, for example, having a piperidinyl, a pyrrolinyl or pyridinyl A ring, a thiazole B ring, and a phenyl C ring which may be further substituted independently.

  本发明涉及通过给予具有一般三部分结构A-B-C的化合物的治疗有效量来治疗与细胞过度增殖相关的疾病的方法。在三部分结构A、B和C中，A、B和C可以是相同或不相同的结构，例如，但不限于，具有或不具有取代基的杂环、苯基或苄基环结构，并在此详细描述。该方法可以利用特定的化合物，例如，具有哌啶基、吡咯烷基或吡啶基A环、噻唑B环和苯基C环，这些环可以进一步独立地被取代。
• Compositions and Methods for the Treatment of Metabolic Disorders
  申请人：Uesugi Motonari

  公开号：US20140303213A1

  公开（公告）日：2014-10-09

  The present invention relates to the compound for treatment and/or prevention of one or more metabolic disorders utilizes an A-B-C tripartite structure, wherein A, B, and C are identical or non-identical structures, for example, but not limited to, heterocyclic, phenyl or benzyl ring structures with or without substitutions and are described in detail herein. Also provided are methods for the treatment and/or prevention of one or more metabolic disorders, for example, obesity or diabetes, utilizing fatostatin A and/or a derivative and/or analog thereof and/or the A-B-C tripartite compounds.

  本发明涉及一种用于治疗和/或预防一种或多种代谢性疾病的化合物，该化合物利用A-B-C三部分结构，其中A、B和C是相同或不相同的结构，例如，但不限于，含杂环、苯基或苯甲基环结构，带或不带取代基，并在此详细描述。还提供了使用fatostatin A和/或其衍生物和/或类似物和/或A-B-C三部分化合物治疗和/或预防一种或多种代谢性疾病，例如肥胖症或糖尿病的方法。
• METHODS AND COMPOSITIONS FOR THE TREATMENT OF CANCER AND RELATED HYPERPROLIFERATIVE DISORDERS
  申请人：UESUGI Motonari

  公开号：US20180071289A1

  公开（公告）日：2018-03-15

  The present invention relates to methods of treating a disease related to cell hyper-proliferation via administration of a therapeutically effective amount of a compound having a general tripartite structure A-B-C. In the tripartite structure A, B, and C are identical or non-identical structures, for example, but not limited to, heterocyclic, phenyl or benzyl ring structures with or without substitutions and are described in detail herein. The methods may utilize particular compounds, for example, having a piperidinyl, a pyrrolinyl or pyridinyl A ring, a thiazole B ring, and a phenyl C ring which may be further substituted independently.