52535-69-0

Basic information

• Product Name: ethyl 2-[(phenylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
• Synonyms: ethyl 2-[(phenylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
• CAS NO: 52535-69-0
• Molecular Formula: C₁₉H₂₁NO₃S
• Molecular Weight: 343.43994
• Mol File: 52535-69-0.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 583.5°C at 760 mmHg
• Flash Point: 306.7°C
• Appearance: /
• Density: 1.253g/cm³
• Vapor Pressure: 1.32E-13mmHg at 25°C
• Refractive Index: 1.622
• CAS DataBase Reference: ethyl 2-[(phenylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate(CAS DataBase Reference)
• NIST Chemistry Reference: ethyl 2-[(phenylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate(52535-69-0)
• EPA Substance Registry System: ethyl 2-[(phenylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate(52535-69-0)

Safety Data

• Hazardous Substances Data: 52535-69-0(Hazardous Substances Data)

Usage

InChI:InChI=1/C19H21NO3S/c1-2-23-19(22)17-14-10-6-7-11-15(14)24-18(17)20-16(21)12-13-8-4-3-5-9-13/h3-5,8-9H,2,6-7,10-12H2,1H3,(H,20,21)

Upstream product

• 4506-71-2 ethyl 2-amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate 
• 103-80-0 phenylacetyl chloride 
• 108-94-1 cyclohexanone 
• 105-56-6 ethyl 2-cyanoacetate 
• 103-82-2 phenylacetic acid 

Downstream Products

• 52535-85-0 N-(3-Dimethylaminomethyl-4,5,6,7-tetrahydro-benzo[b]thiophen-2-yl)-2-phenyl-acetamide 
• 51948-23-3 2-phenyl-N-(4,5,6,7-tetrahydro-benzo[b]thiophen-2-yl)-acetamide 
• 120354-24-7 3-Amino-2-benzyl-5,6,7,8-tetrahydro-3H-benzo[4,5]thieno[2,3-d]pyrimidin-4-one 
• 52535-74-7 2-(2-phenyl-acetylamino)-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid 

Relevant articles and documents

Thiophene inhibitors of PDE4: Crystal structures show a second binding mode at the catalytic domain of PDE4D2

PDE4 inhibitors have been identified as therapeutic targets for a variety of conditions, particularly inflammatory diseases. We have serendipitously identified a novel class of phosphodiesterase 4 (PDE4) inhibitor during a study to discover antagonists of the parathyroid hormone receptor. X-ray crystallographic studies of PDE4D2 complexed to four potent inhibitors reveal the atomic details of how they inhibit the enzyme and a notable contrast to another recently reported thiophene-based inhibitor.

Synthesis and Pharmacological activities of some substituted thienoprymidine-4-ones

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