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GSK503

CAT: 0607-B5833-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0607-B5833-50Size:50 mg
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Description
EZH2 inhibitor
CAS Number
1346572-63-1
Product Name Alternative
(Z)-N-((2-hydroxy-4,6-dimethylpyridin-3-yl)methyl)-1-isopropyl-3-methyl-6-(6-(4-methylpiperazin-1-yl)pyridin-3-yl)-1H-indole-4-carbimidic acid
Field of Research
Stem Cell EZH2
Purity
0.9982
Form
A solid
Solubility
≥21.65 mg/mL in DMSO; insoluble in H2O; ≥26.85 mg/mL in EtOH with gentle warming
Smiles
CC(N(C1=CC(C2=CN=C(N3CCN(CC3)C)C=C2)=CC(/C(O)=N/CC4=C(O)N=C(C=C4C)C)=C51)C=C5C)C
Molecular Formula
C31H38N6O2
Molecular Weight
526.67
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

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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