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GSK503

CAT: 0013-GTR19163784-07Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19163784-07Size:100 mg
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Description
GSK503 is a potent, specific EZH2 methyltransferase inhibitor that inhibits the methyltransferase activity of WT and mutant EZH2 with similar potency (Ki app=3-27 nM) ; GSK503 is highly selective for the SET domain of EZH2, >200 fold selective over EZH1 and > 4000 fold selective over other HMTases; inhibits GCB lymphoma cell lines with IC50 of 0.5-20 uM; impairs proliferation and invasiveness, accompanied by re-expression of tumour suppressor in melanoma cells; stabilizes the disease through inhibition of growth and virtually abolishes metastases formation without affecting normal melanocyte biology in melanoma mouse model.
CAS Number
1346572-63-1
Product Name Alternative
GSK-503
Purity
>98% (HPLC)
Solubility
DMSO: ≥ 44 mg/mL
Smiles
O=C (C1=CC (C2=CC=C (N3CCN (C) CC3) N=C2) =CC4=C1C (C) =CN4C (C) C) NCC5=C (C) C=C (C) NC5=O
Molecular Formula
C31H38N6O2
Molecular Weight
526.6724
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
1H-Indole-4-carboxamide, N-[ (1,2-dihydro-4,6-dimethyl-2-oxo-3-pyridinyl) methyl]-3-methyl-1- (1-methylethyl) -6-[6- (4-methyl-1-piperazinyl) -3-pyridinyl]-

Chemical Information

N-((4,6-Dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-1-isopropyl-3-methyl-6-(6-(4-methylpiperazin-1-yl)pyridin-3-yl)-1H-indole-4-carboxamide

GSK503 is a potent and specific inhibitor of EZH2 methyltransferase.

CAS Number1346572-63-1
PubChem CID67469117
IUPAC NameN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-propan-2-ylindole-4-carboxamide
Molecular FormulaC31H38N6O2
Molecular Weight526.7
XLogP3.8
Topological Polar Surface Area82.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count39
Formal Charge0
Complexity984
SMILES
CC1=CC(=C(C(=O)N1)CNC(=O)C2=C3C(=CN(C3=CC(=C2)C4=CN=C(C=C4)N5CCN(CC5)C)C(C)C)C)C
InChI
InChI=1S/C31H38N6O2/c1-19(2)37-18-21(4)29-25(30(38)33-17-26-20(3)13-22(5)34-31(26)39)14-24(15-27(29)37)23-7-8-28(32-16-23)36-11-9-35(6)10-12-36/h7-8,13-16,18-19H,9-12,17H2,1-6H3,(H,33,38)(H,34,39)
InChIKey
HRDQQHUKUIKFHT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-((4,6-Dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-1-isopropyl-3-methyl-6-(6-(4-methylpiperazin-1-yl)pyridin-3-yl)-1H-indole-4-carboxamide
CAS: 1346572-63-1
CID: 67469117
Formula: C31H38N6O2
MW: 526.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight526.7
XLogP33.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass526.30562448
Monoisotopic Mass526.30562448
Topological Polar Surface Area82.5 Ų
Heavy Atom Count39
Formal Charge0
Complexity984
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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