4-(2-(2-propylpyridin-4-yl)thiazol-4-yl)aniline | 1046045-58-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-(2-(2-propylpyridin-4-yl)thiazol-4-yl)aniline
• 英文别名: 4-(2-(2-Propylpyridin-4-yl)thiazol-4-yl)benzenamine；4-[2-(2-propylpyridin-4-yl)-1,3-thiazol-4-yl]aniline
• CAS: 1046045-58-2
• 化学式: C₁₇H₁₇N₃S
• 分子量: 295.408
• InChiKey: QKFIOIFLEOWEFH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  80
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-(2-(2-propylpyridin-4-yl)thiazol-4-yl)aniline 在 4-二甲氨基吡啶 、 sodium hydroxide 、 水 、 sodium hydride 作用下， 以 四氢呋喃 、 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 55.0h， 生成 4-((tert-butoxycarbonyl)(4-(2-(2-propylpyridin-4-yl)thiazol-4-yl)phenyl)amino)butanoic acid
  参考文献：
  名称：

  WO2008/97835

  摘要：

  公开号：
• 作为产物：
  描述：

  对硝基苯乙酮 在 palladium on activated charcoal 、 copper(ll) bromide 作用下， 以 甲醇 、 乙醇 、 氯仿 、 乙酸乙酯 为溶剂， 反应 8.0h， 生成 4-(2-(2-propylpyridin-4-yl)thiazol-4-yl)aniline
  参考文献：
  名称：

  Diarylthiazole: An Antimycobacterial Scaffold Potentially Targeting PrrB-PrrA Two-Component System

  摘要：

  Diarylthiazole (DAT), a hit from diversity screening, was found to have potent antimycobacterial activity against Mycobacterium tuberculosis (Mtb). In a systematic medicinal chemistry exploration, we demonstrated chemical opportunities to optimize the potency and physicochemical properties. The effort led to more than 10 compounds with submicromolar MICs and desirable physicochemical properties. The potent antimycobacterial activity, in conjunction with low molecular weight, made the series an attractive lead (antibacterial ligand efficiency (ALE)>0.4). The series exhibited excellent bactericidal activity and was active against drug-sensitive and resistant Mtb. Mutational analysis showed that mutations in prrB impart resistance to DAT compounds but not to reference drugs tested. The sensor kinase PrrB belongs to the PrrBA two component system and is potentially the target for DAT. PrrBA is a conserved, essential regulatory mechanism in Mtb and has been shown to have a role in virulence and metabolic adaptation to stress. Hence, DATs provide an opportunity to understand a completely new target system for antimycobacterial drug discovery.

  DOI：

  10.1021/jm500833f

文献信息

• HETEROCYCLIC COMPOUNDS AND METHODS OF USE
  申请人：Medivation Technologies, Inc.

  公开号：US20150065519A1

  公开（公告）日：2015-03-05

  This disclosure provides compounds and methods of using those compounds to treat metabolic disorders and hyperproliferative disorders, including administration of the compounds in conjunction with hormone receptor antagonists.

  本公开提供了化合物及其使用方法，用于治疗代谢性疾病和增生性疾病，包括与激素受体拮抗剂一起给予化合物的治疗方法。
• [EN] HETEROCYCLIC COMPOUNDS AND METHODS OF USE<br/>[FR] COMPOSÉS HÉTÉROCYCLIQUES ET LEURS MÉTHODES D'UTILISATION
  申请人：CHAKRAVARTY SARVAJIT

  公开号：WO2015031650A1

  公开（公告）日：2015-03-05

  This disclosure provides compounds and methods of using those compounds to treat metabolic disorders and hyperproliferative disorders, including administration of the compounds in conjunction with hormone receptor antagonists. Compounds of the invention may also find use in treating cancer. Presented herein are novel compounds bearing a perhaloalkylsulfonamide moiety. Such compounds, in addition to being highly effective SREBP inhibitors, are also unexpectedly highly bioavailable in vivo. Heteroaromatic compounds bearing sulfonamide groups are prone to several ionic states, based on the inherent pKa values.

  本公开提供了化合物及使用这些化合物治疗代谢性疾病和增生性疾病的方法，包括将这些化合物与激素受体拮抗剂一起使用。发明的化合物也可以用于治疗癌症。这里提供了一种新颖的含有全卤烷磺酰胺基团的化合物。这些化合物不仅是高效的SREBP抑制剂，而且在体内意外地具有高生物利用度。含有磺酰胺基团的杂环芳香化合物易于根据固有的pKa值呈现多种离子态。
• Heterocyclic Compounds and Methods of Use
  申请人：Medivation Technologies, Inc.

  公开号：US20180028518A1

  公开（公告）日：2018-02-01

  This disclosure provides compounds and methods of using those compounds to treat liver fibrosis, including liver fibrosis which is a precursor to, is concurrent with, is associated with, or is secondary to nonalcoholic steatohepatitis (NASH); elevated cholesterol levels, and insulin resistance.

  本公开提供了化合物和使用这些化合物治疗肝纤维化的方法，包括作为非酒精性脂肪性肝炎（NASH）的前体、与NASH同时发生、与NASH相关或次生于NASH的肝纤维化的治疗方法；高胆固醇水平和胰岛素抵抗。
• [EN] SYNTHESIS OF FATOSTATIN BASED POLYCYCLIC COMPOUNDS<br/>[FR] SYNTHÈSE DE COMPOSÉS POLYCYCLIQUES À BASE DE FATOSTATINE
  申请人：FGH BIOTECH INC

  公开号：WO2016073826A1

  公开（公告）日：2016-05-12

  The present invention relates to methods and strategies for large-scale synthesis of compounds having the chemical structure: (I). The R substituents are H, methyl, isopropyl, benzyl, cyclohexyl, cyclopropylmethyl, methoxy, tert-butyloxycarbonyl, methanesulfonyl, p-toluenesulfonyl, quinolinesulfonyl, or thiophenesulfonyl groups. The method comprises condensing prothionamide with a halo nitroacetophenone to form a nitrophenyl substituted thiazole, reducing the nitro group to form an amine and derivatizing the amine to produce the compound.

  本发明涉及一种用于大规模合成具有化学结构的化合物的方法和策略：(I)。R取代基为H、甲基、异丙基、苄基、环己基、环丙基甲基、甲氧基、叔丁氧羰基、甲磺酰基、对甲苯磺酰基、喹啉磺酰基或噻吩磺酰基。该方法包括将丙硫胺与卤代硝基乙酮苯缩合以形成硝基苯基取代噻唑，还原硝基以形成胺并衍生化胺以生成该化合物。
• Compositions and methods for the treatment of metabolic disorders
  申请人：Baylor College of Medicine

  公开号：US08207196B2

  公开（公告）日：2012-06-26

  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紊乱。在其他方面，用于治疗和/或预防一种或多种代谢紊乱的化合物利用A-B-C三部分结构，其中A，B和C是相同或不同的结构，并在此详细描述。在具体方面，代谢紊乱包括肥胖症或糖尿病，例如。