35212-85-2

Basic information

• Product Name: METHYL 3-AMINOBENZO[B]THIOPHENE-2-CARBOXYLATE
• Synonyms: 3-Amino-benzo(b)-thiophene-2-carboxylic acid methylester;3-Amino-2-(methoxycarbonyl)-1-benzothiophene;3-amino-2-benzothiophenecarboxylic acid methyl ester;3-aminobenzothiophene-2-carboxylic acid methyl ester;methyl 3-aminobenzothiophene-2-carboxylate;Methyle3-aminobenzo[b]thiophene-2-carboxylate
• CAS NO: 35212-85-2
• Molecular Formula: C₁₀H₉NO₂S
• Molecular Weight: 207.24896
• Mol File: 35212-85-2.mol
• Article Data: 21

Chemical Properties

• Melting Point: 107-108°C
• Boiling Point: 363.1°Cat760mmHg
• Flash Point: 173.4°C
• Appearance: Yellow to brown/Crystalline Powder
• Density: 1.352g/cm³
• Vapor Pressure: 1.84E-05mmHg at 25°C
• Refractive Index: 1.688
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• PKA: 0.83±0.10(Predicted)
• CAS DataBase Reference: METHYL 3-AMINOBENZO[B]THIOPHENE-2-CARBOXYLATE(CAS DataBase Reference)
• NIST Chemistry Reference: METHYL 3-AMINOBENZO[B]THIOPHENE-2-CARBOXYLATE(35212-85-2)
• EPA Substance Registry System: METHYL 3-AMINOBENZO[B]THIOPHENE-2-CARBOXYLATE(35212-85-2)

Safety Data

• Hazardous Substances Data: 35212-85-2(Hazardous Substances Data)

Usage

General Description

Methyl 3-aminobenzo[b]thiophene-2-carboxylate is a chemical compound with a molecular formula C12H11NO2S. It is a synthetic organic compound used in the pharmaceutical industry for the development of new drugs. METHYL 3-AMINOBENZO[B]THIOPHENE-2-CARBOXYLATE contains a benzothiophene ring with a carboxylic acid ester group and an amino group attached to it. It has potential pharmacological properties and is being investigated for its therapeutic uses in various medical conditions. Its precise mechanism of action and potential applications are still under research and development.

InChI:InChI=1/C10H9NO2S/c1-13-10(12)9-8(11)6-4-2-3-5-7(6)14-9/h2-5H,11H2,1H3

Upstream product

• 2365-48-2 Methyl thioglycolate 
• 612-24-8 o-nitrobenzonitrile 
• 394-47-8 2-fluorobenzonitrile 
• 874-05-5 3-aminoindazole 
• 611-20-1 salicylonitrile 
• 7716-66-7 3-chloro-1,2-benzisothiazole 
• 108-59-8 malonic acid dimethyl ester 
• 88284-48-4 2-(trimethylsilyl)phenyl trifluoromethanesulfonate 
• 5728-20-1 3,4-dichloro-1,2,5-thiadiazole 
• 873-32-5 2-Chlorobenzonitrile 
• 861524-30-3 methyl α-(2-cyanophenylthio)acetate 

Downstream Products

• 36822-08-9 <1>benzothieno<3,2-d>pyrimidin-4(3H)-one 
• 80066-96-2 methyl 3-(1-pyrrolyl)-2-amino<1>benzothiophene-3-carboxylate 
• 83716-04-5 3-Methylaminobenzothiophene-2-carboxylic acid methyl ester 
• 83716-01-2 1-Benzyl-2H-benzothieno<3,2-d><1,3>oxazine-2,4(1H)-dione 
• 83716-07-8 11-Benzyl-2,3-dihydro<1>benzothieno<3,2-d>imidazo<1,2-a>pyrimidin-5-(11H)-one 
• 36822-09-0 4-chloro-3,4-dihydrobenzo[4,5]thiophene[3,2-d]pyrimidine 
• 17402-82-3 3-aminobenzo[b]thiophene 
• 1050542-53-4 C₁₆H₈F₂N₂OS₂ 
• 443672-64-8 3-phenyl-2-thioxo-1H-benzo[4,5]thieno[3,2-d]pyrimidin-4-one 
• 1050542-54-5 C₁₆H₇F₃N₂OS₂ 
• 1415703-22-8 3-(4-chlorophenyl)-2-methoxycarbonylbenzo[b]thiophene 
• 1213779-82-8 methyl 3-(4-(trifluoromethyl)phenyl)benzo[b]thiophene-2-carboxylate 
• 1415703-23-9 3-(2,5-dimethoxyphenyl)-2-methoxycarbonylbenzo[b]thiophene 
• 1415703-36-4 3-(5-chloro-2-methoxyphenyl)-2-methoxycarbonylbenzo[b]thiophene 

Relevant articles and documents

EIF4E INHIBITORS AND USES THEREOF

The present invention provides compounds inhibiting elF4E activity and compositions and methods of using thereof.

Cu-Catalyzed Denitrogenative Transannulation of 3-Aminoindazoles to Assemble 1-Aminoisoquinolines and 3-Aminobenzothiophenes

We disclose a novel Cu-catalyzed denitrogenative transannulation of 3-aminoindazoles to afford diverse functionalized 3-aminobenzothiophenes and 1-aminoisoquinolines, in which denitrogenative transannulation of 3-aminoindazoles is reported for the first t

2-Amino-4-aryl thiazole: A promising scaffold identified as a potent 5-LOX inhibitor

Human 5-lipoxygenase (5-LOX) is an important enzyme in the biosynthesis of leukotrienes and is a target for asthma and allergy treatment. Zileuton is the only drug currently marketed that targets this enzyme (IC50 ～ 1 μM). So, the development of novel lead compounds is highly desirable. A series of 2-aryl indole, thiazolopyrazole acid, oxadiazolobenzothiophene, 1,4-disubstituted-1,2,3-triazole, 2-amino-4-aryl thiazole and 4,4′-(1,4-phenylene)bis(1,3-thiazole) derivatives when tested against this enzyme resulted in the identification of a potent compound (1d), p-fluoro substituted 2-amino-4-aryl thiazole, with an IC50 of ～10 μM. Another lead compound identified is (4a), a thiazolopyrazole acid derivative (IC50 ～ 40 μM). All the compounds exhibit poor DPPH radical scavenging activity which suggests that their action occurs not due to the disruption of the redox cycle of iron present in the enzyme (unlike zileuton) but through competitive inhibition, since the Vmax remains constant but the Km increases with an increase in inhibitor concentration. Molecular docking of 1d and 4a to the active site of 5-LOX also supports the experimental data, and suggests that their possible mechanism of action is through competitive inhibition. The current study identifies a promising lead molecule which could be improved further to match the activity of the commercial drug.