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GSK343 1mg

CAT: 0628-A13114-1Size: 1 mgDry Ice: NoHazardous: No
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CAS Number
1346704-33-3

Chemical Information

Gsk 343

GSK343 is a member of the class of indazoles that is 1-isopropyl-1H-indazole-4-carboxamide in which the nitrogen of the carboxamide group is substituted by a (6-methyl-2-oxo-4-propyl-1,2-dihydropyridin-3-yl)methyl group and in which the indazole ring is substituted at position 6 by a 2-(4-methylpiperazin-1-yl)pyridin-4-yl group. A highly potent and selective EZH2 inhibitor (IC50 = 4 nM). It has a role as an EC 2.1.1.43 (enhancer of zeste homolog 2) inhibitor, an antineoplastic agent and an apoptosis inducer. It is a secondary carboxamide, a pyridone, an aminopyridine, a member of indazoles, a N-alkylpiperazine and a N-arylpiperazine.

CAS Number1346704-33-3
PubChem CID71268957
IUPAC NameN-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1-propan-2-ylindazole-4-carboxamide
Molecular FormulaC31H39N7O2
Molecular Weight541.7
XLogP4
Topological Polar Surface Area95.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count40
Formal Charge0
Complexity986
SMILES
CCCC1=C(C(=O)NC(=C1)C)CNC(=O)C2=C3C=NN(C3=CC(=C2)C4=CC(=NC=C4)N5CCN(CC5)C)C(C)C
InChI
InChI=1S/C31H39N7O2/c1-6-7-23-14-21(4)35-31(40)26(23)18-33-30(39)25-15-24(16-28-27(25)19-34-38(28)20(2)3)22-8-9-32-29(17-22)37-12-10-36(5)11-13-37/h8-9,14-17,19-20H,6-7,10-13,18H2,1-5H3,(H,33,39)(H,35,40)
InChIKey
ULNXAWLQFZMIHX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Gsk 343
CAS: 1346704-33-3
CID: 71268957
Formula: C31H39N7O2
MW: 541.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight541.7
XLogP34
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass541.31652351
Monoisotopic Mass541.31652351
Topological Polar Surface Area95.4 Ų
Heavy Atom Count40
Formal Charge0
Complexity986
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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