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GSK369796 , CAS No.459133-38-1

Moligand™

CAS#: 459133-38-1
PubChem CID: 10316203

Item Number

G610719

Grouped product items
SKU	Size	Availability	Price	Qty
G610719-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$572.90
G610719-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,000.90

Basic Description

Synonyms	N-tert-butyl isoquine\|GSK369796\|N-tert-butylisoquine\|NTBISQ\|GSK 369796\|459133-38-1\|ZINC1912685\|BDBM50134936\|CHEMBL147806\|GSK-369796\|NSC8QP4B6Z\|UNII-NSC8QP4B6Z\|2-((tert-Butylamino)methyl)-5-((7-chloro-4-quinolyl)amino)phenol\|2-[(TERT-BUTYLAMINO)METHYL]-5-[
Specifications & Purity	Moligand™
Grade	Moligand™

Associated Targets

CYP1A2 Tchem Cytochrome P450 1A2 0 Activities

Discover Target: CYP1A2

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

CYP2D6 Tclin Cytochrome P450 2D6 0 Activities

Discover Target: CYP2D6

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

CYP2C8 Tchem Cytochrome P450 2C8 0 Activities

Discover Target: CYP2C8

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

CYP2C19 Tchem Cytochrome P450 2C19 0 Activities

Discover Target: CYP2C19

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

CYP3A4 Tclin Cytochrome P450 3A4 0 Activities

Discover Target: CYP3A4

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

CYP2C9 Tchem Cytochrome P450 2C9 0 Activities

Discover Target: CYP2C9

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

KCNH2 Tclin Potassium voltage-gated channel subfamily H member 2 1 Activities

Discover Target: KCNH2

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Names and Identifiers

IUPAC Name	2-[(tert-butylamino)methyl]-5-[(7-chloroquinolin-4-yl)amino]phenol
INCHI	InChI=1S/C20H22ClN3O/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)
InChi Key	ZVMMVSSEAMUNGI-UHFFFAOYSA-N
Canonical SMILES	Clc1ccc2c(c1)nccc2Nc1ccc(c(c1)O)CNC(C)(C)C
Isomeric SMILES	CC(C)(C)NCC1=C(C=C(C=C1)NC2=C3C=CC(=CC3=NC=C2)Cl)O
PubChem CID	10316203

PubChem CID

10316203

ChEMBL Ligand

CHEMBL147806

CAS Registry No.

459133-38-1

References

1. O'Neill PM, Park BK, Shone AE, Maggs JL, Roberts P, Stocks PA, Biagini GA, Bray PG, Gibbons P, Berry N et al.. (2009) Candidate selection and preclinical evaluation of N-tert-butyl isoquine (GSK369796), an affordable and effective 4-aminoquinoline antimalarial for the 21st century.. J Med Chem, 52 (5): (1408-15). [PMID:19222165]
2. Combrinck JM, Mabotha TE, Ncokazi KK, Ambele MA, Taylor D, Smith PJ, Hoppe HC, Egan TJ. (2013) Insights into the role of heme in the mechanism of action of antimalarials.. ACS Chem Biol, 8 (1): (133-7). [PMID:23043646]

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