35978-33-7

Basic information

• Product Name: ETHYL 2-AMINO-4-(4-FLUOROPHENYL)THIOPHENE-3-CARBOXYLATE
• Synonyms: 2-AMINO-4-(4-FLUORO-PHENYL)-THIOPHENE-3-CARBOXYLIC ACID ETHYL ESTER;3-THIOPHENECARBOXYLIC ACID, 2-AMINO-4-(4-FLUOROPHENYL)-, ETHYL ESTER;AKOS MSC-0436;AKOS BBS-00000846;IFLAB-BB F0307-0495;ETHYL 2-AMINO-4-(4-FLUOROPHENYL)THIOPHENE-3-CARBOXYLATE;AURORA 20700;BUTTPARK 47\15-16
• CAS NO: 35978-33-7
• Molecular Formula: C₁₃H₁₂FNO₂S
• Molecular Weight: 265.3
• EINECS: 200-417-5
• Mol File: 35978-33-7.mol
• Article Data: 11

Chemical Properties

• Melting Point: 92-95°C
• Boiling Point: 388.7 °C at 760 mmHg
• Flash Point: 188.9 °C
• Appearance: yellow solid
• Density: 1.293
• Vapor Pressure: 3E-06mmHg at 25°C
• Refractive Index: 1.596
• Storage Temp.: 2-8°C
• CAS DataBase Reference: ETHYL 2-AMINO-4-(4-FLUOROPHENYL)THIOPHENE-3-CARBOXYLATE(CAS DataBase Reference)
• NIST Chemistry Reference: ETHYL 2-AMINO-4-(4-FLUOROPHENYL)THIOPHENE-3-CARBOXYLATE(35978-33-7)
• EPA Substance Registry System: ETHYL 2-AMINO-4-(4-FLUOROPHENYL)THIOPHENE-3-CARBOXYLATE(35978-33-7)

Safety Data

• Hazard Codes: Xi
• Statements: 20/21/22-36/37/38
• Safety Statements: 22-26-36/37/39
• HazardClass: IRRITANT
• Hazardous Substances Data: 35978-33-7(Hazardous Substances Data)

Usage

Description

ETHYL 2-AMINO-4-(4-FLUOROPHENYL)THIOPHENE-3-CARBOXYLATE is a light yellow solid compound that holds significant value in the field of pharmaceutical research and development. It is primarily recognized for its potential role in studying the structure-activity relationship of novel tissue transglutaminase inhibitors, which are essential in understanding the underlying mechanisms of various diseases and conditions.

Uses

Used in Pharmaceutical Research:
ETHYL 2-AMINO-4-(4-FLUOROPHENYL)THIOPHENE-3-CARBOXYLATE is used as a research compound for investigating the structure-activity relationship of novel tissue transglutaminase inhibitors. This application is crucial in the development of new drugs and therapies targeting tissue transglutaminase, an enzyme involved in various physiological processes and diseases.
Used in Drug Development:
In the drug development industry, ETHYL 2-AMINO-4-(4-FLUOROPHENYL)THIOPHENE-3-CARBOXYLATE serves as a key compound in the design and synthesis of potential tissue transglutaminase inhibitors. Its unique chemical properties allow researchers to explore new avenues in the treatment of diseases associated with the dysregulation of tissue transglutaminase activity.
Used in Chemical Synthesis:
ETHYL 2-AMINO-4-(4-FLUOROPHENYL)THIOPHENE-3-CARBOXYLATE is also utilized as an intermediate in the synthesis of various organic compounds and pharmaceuticals. Its versatile chemical structure enables the creation of a wide range of molecules with diverse applications in the chemical and pharmaceutical industries.

InChI:InChI=1/C13H12FNO2S/c1-2-17-13(16)11-10(7-18-12(11)15)8-3-5-9(14)6-4-8/h3-7H,2,15H2,1H3

Upstream product

• 403-42-9 1-(4-fluorophenyl)ethanone 
• 105-56-6 ethyl 2-cyanoacetate 
• 15297-64-0 ethyl 2-cyano-3-(4-fluorophenyl)-2-butenoate 

Downstream Products

• 307324-63-6 C₁₆H₁₇FN₂O₂S 
• 384351-45-5 4-chloro-5-(4-fluorophenyl)thieno[2,3-d]pyrimidine 
• 1181227-94-0 3-{[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]thio}propanoic acid 
• 935760-47-7 ethyl 5-(4-fluorophenyl)-4-oxo-3,4-dihydrothieno[2,3-d]-pyrimidine-2-carboxylate 
• 935759-60-7 5-(4-fluorophenyl)-4-oxo-N-{3-[2-(1H-1,2,4-triazol-3-yloxy)-ethoxy]benzyl}-3,4-dihydro-thieno[2,3-d]pyrimidine-2-carboxamide 
• 1176727-50-6 C₁₆H₁₂FN₃OS 
• 1002275-30-0 C₁₅H₁₀FN₃OS 
• 1018577-22-4 C₁₆H₁₃FN₂O₃S 
• 1018307-56-6 C₁₅H₁₁FN₂O₃S 
• 1056054-66-0 2-methyl-5-(4-fluorophenyl)thieno[2,3-d]pyrimidine-4(3H)-one 
• 1391981-88-6 N-(5-(2-chlorobenzoyl)-4-(4-fluorophenyl)thiophen-2-yl)-2-(4-(ethylsulfonyl)phenyl)acetamide 
• 1391982-12-9 2-(4-(ethylsulfonyl)phenyl)-N-(4-(4-fluorophenyl)thiophen-2-yl)acetamide 
• 1176046-43-7 4-(4-fluorophenyl)thiophen-2-amine 
• 1391981-95-5 2-[4-(ethylsulfonyl)phenyl]-N-[4-(4-fluorophenyl)-5-(phenylcarbonyl)-2-thienyl]acetamide 

Relevant articles and documents

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Synthesis and biological evaluation of substituted (thieno[2,3-d]pyrimidin- 4-ylthio)carboxylic acids as inhibitors of human protein kinase CK2

A novel series of substituted (thieno[2,3-d]pyrimidin-4-ylthio)carboxylic acids has been synthesized and tested in vitro towards human protein kinase CK2. It was revealed that the most active compounds inhibiting CK2 are 3-{[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]thio}propanoic acid and 3-{[5-(4-ethoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]thio}propanoic acid (IC 50 values are 0.1 μM and 0.125 μM, respectively). Structure-activity relationships of 28 tested thienopyrimidine derivatives have been studied and binding mode of this chemical class has been predicted. Evaluation of the inhibitors on seven protein kinases revealed considerable selectivity towards CK2.