T-62

Investigational

Details

Stereochemistry	ACHIRAL
Molecular Formula	C15H14ClNOS
Molecular Weight	291.796
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

NC1=C(C(=O)C2=CC=C(Cl)C=C2)C3=C(CCCC3)S1

InChI

InChIKey=OTZVBZFYMFTYKH-UHFFFAOYSA-N

InChI=1S/C15H14ClNOS/c16-10-7-5-9(6-8-10)14(18)13-11-3-1-2-4-12(11)19-15(13)17/h5-8H,1-4,17H2

HIDE SMILES / InChI

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/16321527
Curator's Comment: The description was created based on several sources, including https://www.ncbi.nlm.nih.gov/pubmed/20547736 | https://www.ncbi.nlm.nih.gov/pubmed/22148748 | https://www.google.ch/patents/US20020055535

T-62 ((2-amino-4,5,6,7-tetrahydro-1-benzothien-3-yl)(4-chlorophenyl)methanone) is a small-molecule allosteric potentiator of agonist function at the adenosine A1 receptor, developed by Edward Leung for the treatment of various pain states in a mammal and human subjects.

Originator

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Adenosine A1 receptor 50 Target ID: CHEMBL226 Sources: https://www.ncbi.nlm.nih.gov/pubmed/22148748	Positive Allosteric Modulator 179

Conditions

Condition	Modality	Targets	Highest Phase	Product
Pain 614 Sources: https://www.google.ch/patents/US20020055535	Primary		Basic research	Unknown Approved Use Unknown

PubMed

Title	Date	PubMed
Synthesis and biological characterization of [3H] (2-amino-4,5,6,7-tetrahydrobenzo[b]thiophen-3-yl)-(4-chlorophenyl)-methanone, the first radiolabelled adenosine A1 allosteric enhancer.	2006 Mar 1	16321527

Patents

Sample Use Guides

In Vivo Use Guide

When given orally, a dose range of 100 mg to 1000 mg (approximately 1 to 15 mg/kg free base per dose) can be given to a patient.

Route of Administration: Oral

In Vitro Use Guide

FlpIn Chinese hamster ovary (CHO) cells stably expressing adenosine A1 receptors were used for activity evaluation. Membrane homogenates (15 mkg) were equilibrated with [3H]CCPA (2 nM) in a 1-ml total volume of assay buffer for 90 min at 30°C. R-PIA (10 mkM), alone or in the presence of T62, VCP520, or VCP333, was then added at various time points to prevent the reassociation of [3H]CCPA with the receptor. In subsequent experiments designed to investigate the effect of a range of modulator concentrations on [3H]CCPA dissociation rate, a “two-point kinetic” experimental paradigm was used in which the effect of increasing concentrations of allosteric ligand on [3H]CCPA dissociation was determined at 20 and 90 min.

Name

Type

Language

T-62

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID20193322