15854-12-3

Basic information

• Product Name: 2-AMINO-4-(3,4-DIMETHOXY-PHENYL)-THIOPHENE-3-CARBOXYLIC ACID ETHYL ESTER
• Synonyms: Ethyl 2-amino-4-(3,4-dimethoxyphenyl)-3-thiophenecarboxylate;2-amino-4-(3,4-dimethoxyphenyl)-3-thiophenecarboxylic acid ethyl ester
• CAS NO: 15854-12-3
• Molecular Formula: C₁₅H₁₇NO₄S
• Molecular Weight: 307.37
• Mol File: 15854-12-3.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 437.3°Cat760mmHg
• Flash Point: 218.3°C
• Appearance: /
• Density: 1.234g/cm³
• Vapor Pressure: 7.54E-08mmHg at 25°C
• Refractive Index: 1.583
• PKA: -0.29±0.10(Predicted)
• CAS DataBase Reference: 2-AMINO-4-(3,4-DIMETHOXY-PHENYL)-THIOPHENE-3-CARBOXYLIC ACID ETHYL ESTER(CAS DataBase Reference)
• NIST Chemistry Reference: 2-AMINO-4-(3,4-DIMETHOXY-PHENYL)-THIOPHENE-3-CARBOXYLIC ACID ETHYL ESTER(15854-12-3)
• EPA Substance Registry System: 2-AMINO-4-(3,4-DIMETHOXY-PHENYL)-THIOPHENE-3-CARBOXYLIC ACID ETHYL ESTER(15854-12-3)

Safety Data

• Hazard Codes: Xn
• Statements: 22-41
• Safety Statements: 26-39
• WGK Germany: 3
• Hazardous Substances Data: 15854-12-3(Hazardous Substances Data)

Usage

Chemical compound

2-AMINO-4-(3,4-DIMETHOXY-PHENYL)-THIOPHENE-3-CARBOXYLIC ACID ETHYL ESTER

Structure

Consists of a thiophene ring with an amino group at position 2 and a carboxylic acid ethyl ester at position 3, with a 3,4-dimethoxy-phenyl group attached to the thiophene ring

Potential applications

Organic synthesis, pharmaceuticals, materials science

Uses

Building block for the synthesis of complex organic molecules, precursor for the development of new drugs or materials with specific properties

Value

Unique structure and functional groups make it a valuable compound for research and development in various fields of chemistry.

InChI:InChI=1/C15H17NO4S/c1-4-20-15(17)13-10(8-21-14(13)16)9-5-6-11(18-2)12(7-9)19-3/h5-8H,4,16H2,1-3H3

Upstream product

• 105-56-6 ethyl 2-cyanoacetate 
• 1131-62-0 1-(3,4-dimethoxyphenyl)ethanone 

Downstream Products

• 14346-26-0 5-(3,4-dimethoxy-phenyl)-3H-thieno[2,3-d]pyrimidin-4-one 
• 1404226-03-4 C₂₀H₁₉NO₄S 
• 1432510-71-8 C₂₁H₂₁NO₄S 
• 1432510-72-9 C₂₁H₂₁NO₄S 
• 1432510-73-0 C₂₁H₂₁NO₄S 
• 1404226-01-2 C₂₁H₂₁NO₅S 
• 1404226-04-5 C₂₀H₁₈FNO₄S 
• 1432510-74-1 C₂₀H₁₈FNO₄S 
• 1432510-75-2 C₂₁H₁₈N₂O₄S 
• 1432510-76-3 C₂₁H₁₈N₂O₄S 
• 1432510-77-4 C₁₉H₁₈N₂O₄S 
• 1432510-65-0 C₁₅H₁₆O₄S 
• 1216164-04-3 C₁₅H₁₈N₂O₃S 
• 1404225-85-9 C₁₆H₂₀N₂O₄S 

Relevant articles and documents

Design and synthesis of novel protein kinase CK2 inhibitors on the base of 4-aminothieno[2,3-d]pyrimidines

An extension of our previous research work has resulted in a number of new ATP-competitive CK2 inhibitors that have been identified among 4-aminothieno[2,3-d]pyrimidine derivatives. The most active compounds obtained in the course of the research are 3-(5-p-tolyl-thieno[2,3-d]pyrimidin-4-ylamino)-benzoic acid, 5e (NHTP23, IC50 = 0.01 μM), 3-(5-phenyl-thieno[2,3-d]pyrimidin-4-ylamino)-benzoic acid, 5g (NHTP25, IC50 = 0.065 μM) and 3-(6-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-ylamino)-benzoic acid, 5n (NHTP33, IC50 = 0.008 μM). Structure-activity relationships of the tested 4-aminothieno[2,3-d]pyrimidine derivatives have been studied and their binding mode with ATP-acceptor site of CK2 has been proposed. A negative effect of intramolecular hydrogen bonding in the compounds' structure is discussed.

THIOPHENE-BASED COMPOUNDS EXHIBITING ATP-UTILIZING ENZYME INHIBITORY ACTIVITY, AND COMPOSITIONS, AND USES THEREOF

Thiophene-based compounds exhibiting ATP-utilizing enzyme inhibitory activity, methods of using compounds exhibiting ATP-utilizing enzyme inhibitory activity, and compositions comprising compounds exhibiting ATP-utilizing enzyme inhibitory activity, are d