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GSK503

CAT: 0957-S7804-01Size: 5 mgDry Ice: YesHazardous: No
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CAT#:0957-S7804-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
GSK503 is a potent and specific EZH2 methyltransferase inhibitor.
CAS Number
1346572-63-1
Target
Histone Methyltransferase
Activity
Epigenetics
Molecular Formula
C31H38N6O2
Storage Conditions
2 years -80 in solvent

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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