3-(4-methylbenzyl)-4-phenyl-1,3-thiazole-2(3H)-thione | 1372541-08-6

• 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: 3-(4-methylbenzyl)-4-phenyl-1,3-thiazole-2(3H)-thione
• 英文别名: 3-[(4-Methylphenyl)methyl]-4-phenyl-1,3-thiazole-2-thione
• CAS: 1372541-08-6
• 化学式: C₁₇H₁₅NS₂
• 分子量: 297.445
• InChiKey: CEXUVLDLYOHUTA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  60.6
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  二硫化碳 、 2-溴苯乙酮 、 4-甲基苄胺 以 甲醇 为溶剂， 反应 25.0h， 以90%的产率得到3-(4-methylbenzyl)-4-phenyl-1,3-thiazole-2(3H)-thione
  参考文献：
  名称：

  二硫化碳与溴苯乙酮在伯胺存在下的反应：3-烷基-4-苯基-1,3-噻唑-2(3H)-硫酮衍生物的合成

  摘要：

  据报道，伯胺、二硫化碳和溴苯乙酮之间的三组分反应可提供新型 3-烷基-4-苯基-1,3-噻唑-2(3H)-硫酮衍生物。反应顺序包括伯胺与二硫化碳的初始亲核加成，然后如此获得的氨基二硫代酸与溴苯乙酮的亲核攻击，然后通过氮分子内攻击羰基碳而闭环以提供产物。这种级联反应序列代表了一种快速且前所未有的途径，用于描述具有生物学特性的分子。

  DOI：

  10.1080/17415993.2011.635794

文献信息

• Synthesis of Thiazoles Catalyzed by Dichlorotriazine Attached to Graphene Oxide
  作者：Hossein Shahbazi-Alavi、Ali Kareem Abbas、Javad Safaei-Ghomi

  DOI：10.1080/00304948.2021.1920788

  日期：2021.7.4

  (2021). Synthesis of Thiazoles Catalyzed by Dichlorotriazine Attached to Graphene Oxide. Organic Preparations and Procedures International: Vol. 53, No. 4, pp. 426-430.

  (2021)。附着在氧化石墨烯上的二氯三嗪催化合成噻唑。国际有机制剂和程序：卷。53，第 4 期，第 426-430 页。
• Imidazole and thiazole compositions for modifying biological signaling
  申请人：Ohio University

  公开号：US10023567B2

  公开（公告）日：2018-07-17

  Compounds having General Formula (I) or General Formula (II): in which R1 is chosen from C1 to C10 aliphatic or heteroaliphatic groups, optionally substituted with one or more aryl groups, substituted aryl groups, heteroaryl groups, substituted heteroaryl groups, or combination thereof; R2 is chosen from aromatic moieties, substituted aromatic moieties, heteroaromatic moieties substituted heteroaromatic moieties, and coumarin; R3 is chosen from —H, C1 to C10 aliphatic or heteroaliphatic groups, phenyl, or substituted phenyl, wherein the aliphatic or heteroaliphatic groups are optionally substituted with one or more phenyl groups, aryl groups, heteroaryl groups, substituted heteroaryl groups, or combination thereof, and wherein the aliphatic or heteroaliphatic groups are optionally bonded to R2 to form a ring; X is S or O; and Y is S or NH, may be used in pharmaceutical compositions that modify of biological signaling processes or as reagents for biological assays.

  具有通式(I)或通式(II)的化合物：其中 R1 选自 C1 至 C10 脂肪族或杂脂肪族基团，任选被一个或多个芳基、取代芳基、杂芳基、取代杂芳基或其组合取代；R2 选自芳香族基团、取代芳香族基团、杂芳香族基团、取代杂芳香族基团和香豆素；R3 选自-H、C1 至 C10 脂肪族或杂脂肪族基团、苯基或取代苯基，其中脂肪族或杂脂肪族基团可选择被一个或多个苯基、芳基、杂芳基、取代杂芳基或其组合取代，并且其中脂肪族或杂脂肪族基团可选择与 R2 键合形成环；X 是 S 或 O；Y 是 S 或 NH，可用于改变生物信号转导过程的药物组合物或用作生物检测试剂。
• PREVENTION AND TREATMENT OF NON-ALCOHOLIC FATTY LIVER DISEASE
  申请人：Ohio University

  公开号：US20170196845A1

  公开（公告）日：2017-07-13

  Methods for preventing, treating, and/or reducing the risk of developing non-alcoholic fatty liver disease in a subject in need thereof and pharmaceutical compositions for the prevention or treatment of non-alcoholic fatty liver disease. Methods for inhibiting excessive accumulation of fat in liver tissue. The methods include administering to the subject or contacting the liver tissue with a therapeutically effective amount of at least one compound of General Formula (I) or General Formula (II): or pharmaceutically-acceptable salts or solvates thereof. The pharmaceutical composition includes at least one compound of the General Formula (I) or the General Formula (II) for administration to a subject for the prevention or treatment of non-alcoholic fatty liver disease.
• IMIDAZOLE AND THIAZOLE COMPOSITIONS FOR MODIFYING BIOLOGICAL SIGNALING
  申请人：Ohio University

  公开号：US20170210737A1

  公开（公告）日：2017-07-27

  Compounds having General Formula (I) or General Formula (II): in which R 1 is chosen from C 1 to C 10 aliphatic or heteroaliphatic groups, optionally substituted with one or more aryl groups, substituted aryl groups, heteroaryl groups, substituted heteroaryl groups, or combination thereof; R 2 is chosen from aromatic moieties, substituted aromatic moieties, heteroaromatic moieties substituted heteroaromatic moieties, and coumarin; R 3 is chosen from —H, C 1 to C 10 aliphatic or heteroaliphatic groups, phenyl, or substituted phenyl, wherein the aliphatic or heteroaliphatic groups are optionally substituted with one or more phenyl groups, aryl groups, heteroaryl groups, substituted heteroaryl groups, or combination thereof, and wherein the aliphatic or heteroaliphatic groups are optionally bonded to R 2 to form a ring; X is S or O; and Y is S or NH, may be used in pharmaceutical compositions that modify of biological signaling processes or as reagents for biological assays.