407587-33-1

Basic information

• Product Name: 6-tert-butyl-2-(furan-2-carboxaMido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylic acid
• Synonyms: 6-tert-butyl-2-(furan-2-carboxaMido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylic acid;CaCCinh-A01;6-(1,1-Dimethylethyl)-2-[(2-furanylcarbonyl)amino]-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid
• CAS NO: 407587-33-1
• Molecular Formula: C18H21NO4S
• Molecular Weight: 347.42864
• EINECS: -0
• Mol File: 407587-33-1.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 429.7±45.0 °C(Predicted)
• Appearance: white to beige/
• Density: 1.305±0.06 g/cm3(Predicted)
• Storage Temp.: 2-8°C
• Solubility: DMSO: soluble20mg/mL, clear
• PKA: 4.49±0.40(Predicted)
• CAS DataBase Reference: 6-tert-butyl-2-(furan-2-carboxaMido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 6-tert-butyl-2-(furan-2-carboxaMido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylic acid(407587-33-1)
• EPA Substance Registry System: 6-tert-butyl-2-(furan-2-carboxaMido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylic acid(407587-33-1)

Safety Data

• WGK Germany: 3
• Hazardous Substances Data: 407587-33-1(Hazardous Substances Data)

Usage

Description

6-tert-butyl-2-(furan-2-carboxaMido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylic acid is a complex organic compound with a unique molecular structure. It is characterized by its tetrahydrobenzo[b]thiophene core, which is substituted with a tert-butyl group at the 6th position, a furan-2-carboxamido group at the 2nd position, and a carboxylic acid group at the 3rd position. 6-tert-butyl-2-(furan-2-carboxaMido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylic acid holds potential for various applications due to its distinct chemical properties and reactivity.

Uses

Used in Pharmaceutical Industry:
6-tert-butyl-2-(furan-2-carboxaMido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylic acid is used as a building block for the synthesis of novel pharmaceutical compounds. Its unique structure allows for the development of new drugs with potential therapeutic applications, such as modulating ion channels or targeting specific receptors.
Used in Chemical Research:
In the field of chemical research, 6-tert-butyl-2-(furan-2-carboxaMido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylic acid serves as a valuable compound for studying its reactivity, stability, and potential interactions with other molecules. This can lead to a better understanding of its properties and the discovery of new chemical reactions or processes.
Used in Inhibitor Development:
6-tert-butyl-2-(furan-2-carboxaMido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylic acid is used as a potent, selective class A inhibitor of calcium-activated chloride channels (CaCCs). By targeting these channels, it can potentially be employed in the treatment of various conditions related to ion channel dysfunction, such as cystic fibrosis, chronic obstructive pulmonary disease (COPD), and certain neurological disorders.

Biochem/physiol Actions

CaCCinh-A01 is a TMEM16A (transmembrane member 16A) inhibitor. It also blocks anoctamin-1 (ANO1) and decreases cell viability and represses cell migration.

Upstream product

• 213192-26-8 2-amino-6-(1,1-dimethylethyl)-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid methyl ester 
• 98-53-3 4-tercbutyl-cyclohexanone 
• 574723-38-9 C₁₉H₂₃NO₄S 

Relevant articles and documents

Inhibitors of calcium-activated chloride channels

Provided herein are methods for identifying compounds that are inhibitors of a calcium-activated chloride channel. Aminothiophene and aminothiazole compounds, and compositions comprising these compounds, described herein that inhibit efflux of chloride th