2-甲基-1-(5-甲基-2-噻吩基)丙-1-酮 | 94199-67-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 2-甲基-1-(5-甲基-2-噻吩基)丙-1-酮
• 英文名称: 2-7-(methylpropanoyl)-5-methylthiophene
• 英文别名: 2-Methyl-1-(5-methyl-2-thienyl)propan-1-one；2-methyl-1-(5-methylthiophen-2-yl)propan-1-one
• CAS: 94199-67-4
• 化学式: C₉H₁₂OS
• 分子量: 168.26
• InChiKey: PFTMEBUEMCUIKK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  45.3
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2934999090

反应信息

• 作为反应物：
  描述：

  5-溴嘧啶 、 2-甲基-1-(5-甲基-2-噻吩基)丙-1-酮 在 正丁基锂 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 以70%的产率得到2-Methyl-1-(5-methyl-thiophen-2-yl)-1-pyrimidin-5-yl-propan-1-ol
  参考文献：
  名称：

  Aromatase inhibition by 5-substituted pyrimidines and dihydropyrimidines

  摘要：

  The inhibition of estrogen biosynthesis has been suggested to be an effective treatment of hormone-dependent diseases, particularly breast cancer. Several series of 5-substituted pyrimidine derivatives have been synthesized and tested for their ability to inhibit the enzyme aromatase (estrogen synthetase). Compounds were evaluated in an in vitro assay that measured the inhibition of rat ovarian microsomal aromatase activity. Greatest inhibitory activity was achieved in the cases of diarylpyrimidinemethanols and diarylpyrimidinyl methanes which were substituted in the 4- and 4'-positions with electron-withdrawing substituents, particularly Cl.

  DOI：

  10.1021/jm00391a016
• 作为产物：
  描述：

  2-甲基噻吩 、 异丁酰氯 在 aluminum (III) chloride 作用下， 以 二氯甲烷 为溶剂， 反应 3.17h， 以70%的产率得到2-甲基-1-(5-甲基-2-噻吩基)丙-1-酮
  参考文献：
  名称：

  芳基/杂芳基酮的烯丙基化：整洁、清洁和可持续。应用于制药和保健品行业的目标

  摘要：

  带有α-次甲基质子的芳族和杂芳族酮可以在完全不存在有机溶剂的情况下在几分钟内被去质子化和单烯丙基化，从而以高分离产率得到相应的产物。记录了利用这项新技术对包括 MK-7 和 MK-9 以及辅酶 Q 9 (CoQ 9 ) 在内的合成靶标的应用。

  DOI：

  10.1039/d2gc00776b

文献信息

• Hepatitis C Virus Inhibitors
  申请人：Bristol-Myers Squibb Company

  公开号：US20130183269A1

  公开（公告）日：2013-07-18

  The present disclosure is generally directed to antiviral compounds, and more specifically directed to combinations of compounds which can inhibit the function of the NS5A protein encoded by Hepatitis C virus (HCV), compositions comprising such combinations, and methods for inhibiting the function of the NS5A protein.

  本公开涉及抗病毒化合物，更具体地涉及能够抑制丙型肝炎病毒（HCV）编码的NS5A蛋白功能的化合物组合，包括这种组合的组成物，以及抑制NS5A蛋白功能的方法。
• COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE
  申请人：SHY Therapeutics LLC

  公开号：US20170174699A1

  公开（公告）日：2017-06-22

  Provided herein are compounds that inhibit the phosphorylation of MAPK and thus are useful in compositions and methods for treating cancer and inflammatory disease.

  本文提供了抑制MAPK磷酸化的化合物，因此可用于治疗癌症和炎症性疾病的组合物和方法。
• Novel Aromatic Compounds and Their Use in Medical Applications
  申请人：Aydt Ewald M.

  公开号：US20080207639A1

  公开（公告）日：2008-08-28

  Pharmaceutical compositions comprising at least one compound of the formulas (Ia) or (Ib) and a pharmaceutically acceptable carrier wherein the symbols have the following meaning —X— is e.g. and Y being e.g. or the pharmaceutically acceptable salts can be applied to modulate the in-vitro and in-vivo binding processes mediated by E-, P- or L-selectin binding.

  药物组成物包括至少一种式(Ia)或(Ib)的化合物和药学上可接受的载体，其中符号的含义如下：-X-例如，Y为例如或药学上可接受的盐，可用于调节由E、P或L选择素结合介导的体外和体内结合过程。
• NOVEL MULTI-CYCLIC COMPOUNDS
  申请人：Kranich Remo

  公开号：US20090030015A1

  公开（公告）日：2009-01-29

  Pharmaceutical compositions comprising at least one compound of the formulas (Ia) or (Ib) or (IIa) or (IIb) and a pharmaceutically acceptable carrier wherein the symbols and substituents have the following meaning —X— is e.g. and Y being e.g. or the pharmaceutically acceptable salts can be applied to modulate the in-vitro and in-vivo binding processes mediated by E-, P- or L-selectin binding.

  药物组合物包括至少一种化合物，化合物的结构式为(Ia)或(Ib)或(IIa)或(IIb)，以及药学上可接受的载体。其中符号和取代基的含义如下：-X-例如，Y可以是例如，或者药学上可接受的盐，可以用于调节由E-、P-或L-选择素介导的体外和体内结合过程。
• HEPATITIS C VIRUS INHIBITORS
  申请人：BRISTOL-MAYERS SQUIBB COMPANY

  公开号：US20160199355A1

  公开（公告）日：2016-07-14

  The present disclosure is generally directed to antiviral compounds, and more specifically directed to combinations of compounds which can inhibit the function of the NS5A protein encoded by Hepatitis C virus (HCV), compositions comprising such combinations, and methods for inhibiting the function of the NS5A protein.

  本公开涉及抗病毒化合物，更具体地涉及能够抑制丙型肝炎病毒（HCV）编码的NS5A蛋白功能的化合物组合、包含这种组合的组合物，以及抑制NS5A蛋白功能的方法。