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GSK369796 Dihydrochloride - 10mM in DMSO, high purity , CAS No.1010411-21-8

COA

Grade & Purity:

10mM in DMSO

Cas Number: 1010411-21-8
Molecular Weight: 428.79
PubChem CID: 51071988

In stock

Item Number

G420307

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SKU	Size	Availability	Price	Qty
G420307-1ml	1ml	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$241.90

Potassium Channel Inhibitors

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Compound libraries (12325) Ion channel (2197)

Basic Description

Synonyms	gsk369796 dihydrochloride \| 1010411-21-8 \| AKOS015994550 \| DE-0055 \| GSK-369796 dihydrochloride \| 6W7T5AWQ47 \| MolPort-009-194-119 \| KB-272651 \| 2-((tert-Butylamino)methyl)-5-((7-chloroquinolin-4-yl)amino)phenol dihydrochloride \| 2-((tert-Butylamino)methyl)-5-((7-chloro-4-
Specifications & Purity	10mM in DMSO
Biochemical and Physiological Mechanisms	GSK369796 Dihydrochloride (N-tert-butylisoquine) is an inhibitor of hERG potassium ion channel repolarization with IC50 of 7.5 μM. GSK369796 Dihydrochloride is an affordable and effective 4-aminoquinoline antimalarial.
Storage Temp	Store at -80°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	Information GSK369796 Dihydrochloride GSK369796 Dihydrochloride (N-tert-butylisoquine) is an inhibitor of hERG potassium ion channel repolarization with IC50 of 7.5 μM. GSK369796 Dihydrochloride is an affordable and effective 4-aminoquinoline antimalarial. Targets hERG (Cell-free assay) 7.5 μM

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Quinolines and derivatives
    - Subclass Aminoquinolines and derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Quinolines and derivatives
Subclass	Aminoquinolines and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	4-aminoquinolines
Alternative Parents	Chloroquinolines m-Aminophenols Phenylmethylamines Aniline and substituted anilines Benzylamines 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Aminopyridines and derivatives Aralkylamines Primary aromatic amines Aryl chlorides Heteroaromatic compounds Dialkylamines Azacyclic compounds Hydrocarbon derivatives Hydrochlorides Organooxygen compounds Organochlorides
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	4-aminoquinoline - Haloquinoline - Chloroquinoline - Aminophenol - M-aminophenol - Phenylmethylamine - Aniline or substituted anilines - Benzylamine - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Aminopyridine - Phenol - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Aryl halide - Pyridine - Primary aromatic amine - Aryl chloride - Heteroaromatic compound - Secondary aliphatic amine - Azacycle - Secondary amine - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrochloride - Amine - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as 4-aminoquinolines. These are organic compounds containing an amino group attached to the 4-position of a quinoline ring system.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	2-[(tert-butylamino)methyl]-5-[(7-chloroquinolin-4-yl)amino]phenol;dihydrochloride
INCHI	InChI=1S/C20H22ClN3O.2ClH/c1-20(2,3)23-12-13-4-6-15(11-19(13)25)24-17-8-9-22-18-10-14(21)5-7-16(17)18;;/h4-11,23,25H,12H2,1-3H3,(H,22,24);2*1H
InChIKey	UDVALKJFXQVZSI-UHFFFAOYSA-N
Smiles	CC(C)(C)NCC1=C(C=C(C=C1)NC2=C3C=CC(=CC3=NC=C2)Cl)O.Cl.Cl
Isomeric SMILES	CC(C)(C)NCC1=C(C=C(C=C1)NC2=C3C=CC(=CC3=NC=C2)Cl)O.Cl.Cl
PubChem CID	51071988
Molecular Weight	428.79

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	428.800 g/mol
XLogP3
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	427.098 Da
Monoisotopic Mass	427.098 Da
Topological Polar Surface Area	57.200 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	428.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	3

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