1-(4-Bromothiophen-2-yl)-2-chloroethan-1-one | 62673-68-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-(4-Bromothiophen-2-yl)-2-chloroethan-1-one
• 英文别名: 1-(4-bromothiophen-2-yl)-2-chloroethanone
• CAS: 62673-68-1
• 化学式: C₆H₄BrClOS
• 分子量: 239.52
• InChiKey: OPHPHNFENFXVBJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  45.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-(4-Bromothiophen-2-yl)-2-chloroethan-1-one 以85%的产率得到
  参考文献：
  名称：

  CONDE S.; CORRAL C.; MADRONERO R.; ALVAREZ-INSUA A. S.; FERNANDEZ-TOME M.+, J. MED. CHEM. , 1977, 20, NO 7, 970-974

  摘要：

  DOI：
• 作为产物：
  描述：

  氯乙酰氯 、 3-溴噻吩 以37%的产率得到
  参考文献：
  名称：

  CONDE S.; CORRAL C.; MADRONERO R.; ALVAREZ-INSUA A. S.; FERNANDEZ-TOME M.+, J. MED. CHEM. , 1977, 20, NO 7, 970-974

  摘要：

  DOI：

文献信息

• Compounds and their therapeutic use
  申请人：——

  公开号：US20030199508A1

  公开（公告）日：2003-10-23

  Compounds of formula I: 1 [wherein: X represents —CH═CH—, —CH═CR—, —CR═CR—, —CO—, —O—, —NH—, —NR—, S—, —SO—, —SO 2 —, —CH═N—, —CR═N—, —CH═N(O)—, —CR═N(O)— or any other atom or group of atoms capable of forming a S— or 6-membered heterocyclic ring; Y 1 , Y 2 and Y 3 independently represent hydrogen or halogen; R 1 , R 2 and R 3 are independently represent hydrogen, halogen, hydrocarbyl (—R), hydroxyl (—OH), hydrocarbyloxy (—O—R), mercapto (—SH), hydrocarbylthio (—S—R), hydrocarbylsulfinyl (—SO—R), hydrocarbylsulfonyl (—SO 2 —R), nitro (—NO 2 ), amino (—NH 2 ), hydrocarbylamino (—NHR), bis(hydrocarbyl)amino (—NR 2 ), hydrocarbylcarbonylamino (—NH—CO—R), cyano (—CN), carbamoyl (—CONH 2 ), hydrocarbylcarbarnoyl (—CONHR), bis(hydrocarbyl)carbamoyl (—CONR 2 ), carboxyl (—CO 2 H), hydrocarbyloxycarbonyl (—CO 2 R), formyl (—CHO), hydrocarbylcarbonyl (—COR), hydrocarbylcarbonyloxy (—OCOR), optionally substituted heteroaryl or optionally substituted heterocyclic; and the hydrocarbyl group R is a straight or branched chain hydrocarbyl group selected from alkyl, alkenyl, alkynyl, aryl, aralkyl, aralkenyl and aralkynyl, which may optionally be substituted by one or more substituents, selected from those defined above in relation to R1, R2 and R3]; are of use in the manufacture of a medicament for the treatment including prophylaxis of disease mediated by the activation of GSK-3.

  公式I的化合物：其中：X代表—CH₂CH—、—CH₂CR—、—CR₂CR—、—CO—、—O—、—NH—、—NR—、S—、—SO—、—SO₂—、—CH₂N—、—CR₂N—、—CH₂N(O)—、—CR₂N(O)—或任何其他能够形成S—或6元杂环的原子或原子团；Y₁、Y₂和Y₃独立地代表氢或卤素；R₁、R₂和R₃独立地代表氢、卤素、烃基（—R）、羟基（—OH）、烃氧基（—O—R）、巯基（—SH）、烃硫基（—S—R）、烃基磺基（—SO—R）、烃基磺酰基（—SO₂—R）、硝基（—NO₂）、氨基（—NH₂）、烃基氨基（—NHR）、双（烃基）氨基（—NR₂）、烃基羰基氨基（—NH—CO—R）、氰基（—CN）、氨基甲酰基（—CONH₂）、烃基甲酰胺基（—CONHR）、双（烃基）氨基甲酰基（—CONR₂）、羧基（—CO₂H）、烃氧羰基（—CO₂R）、甲酰基（—CHO）、烃基羰基（—COR）、烃基羰氧基（—OCOR）、可选地取代的杂芳烃或可选地取代的杂环；烃基R为直链或支链烃基，选自烷基、烯基、炔基、芳基、芳基烷基、芳基烯基和芳基炔基，该基团可以选择地被一个或多个取代基取代，所述取代基选自与R₁、R₂和R₃相关定义的那些取代基；用于制造一种药物，用于治疗包括预防GSK-3激活介导的疾病的药物。
• US6747057B2
  申请人：——

  公开号：US6747057B2

  公开（公告）日：2004-06-08
• [EN] COMPOUNDS AND THEIR THERAPEUTIC USE RELATED TO THE PHOSPHORYLATING ACTIVITY OF THE ENZYME GSK-3<br/>[FR] COMPOSES ET UTILISATION THERAPEUTIQUE RELATIVE A L'ACTIVITE DE PHOSPHORYLATION DE L'ENZYME GSK-3
  申请人：CONSEJO SUPERIOR INVESTIGACION

  公开号：WO2003055479A1

  公开（公告）日：2003-07-10

  Compounds of formula (I): wherein: X represents CH=CH-, -CH=CR-, -CR=CR-, -CO-, -O-, -NH-, -NR-, -S-, -SO-, -SO2-, -CH=N-, -CR=N-, -CH=N(O)-, -CR=N(O)- or any other atom or groug of atoms capable of forming a S- or 6- membered heterocyclic ring; Y1, Y2 and Y3 independently represent hydrogen or halogen; R1, R2 and R3 are independently represent hydrogen, halogen, hydrocarbyl (-R), hydroxyl (-OH), hydrocarbyloxy (-O-R), mercapto (-SH), hydrocarbylthio (-S-R), hydrocarbylsulfinyl (-SO-R), hydrocarbylsulfonyl (-SO2-R), nitro (-NO2), amino (-NH2), hydrocarbylamino (-NHR), bis(hydrocarbyl)amino (-NR2), hydrocarbylcarbonylamino (-NH-CO-R), cyano (-CN), carbamoyl (-CONH2), hydrocarbylcarbamoyl (-CONHR), bis(hydrocarbyl)carbamoyl (-CONR2), carboxyl (-CO2H), hydrocarbyloxycarbonyl (-CO2R), formyl (-CHO), hydrocarbylcarbonyl (-COR), hydrocarbylcarbonyloxy (-OCOR), optionally substituted heteroaryl or optionally substituted hetereocyclic; and the hydrocarbyl group R is a straight or branched chain hydrocarbyl group selected from alkyl, alkenyl, alkynyl, aryl, aralkyl, aralkenyl and aralkynyl, which may optionally be subtituted by one or more substituents, selected from those defined above in relation to R1, R2, and R3] ; are of use in the manufacture of a medicament for the treatment including prophylaxis of disease mediated by the activation of GSK-3.
• CONDE S.; CORRAL C.; MADRONERO R.; ALVAREZ-INSUA A. S.; FERNANDEZ-TOME M.+, J. MED. CHEM. <JMCM-AR>, 1977, 20, NO 7, 970-974
  作者：CONDE S.、 CORRAL C.、 MADRONERO R.、 ALVAREZ-INSUA A. S.、 FERNANDEZ-TOME M.+

  DOI：——

  日期：——