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GSK126 200mg

CAT: 0628-A11757-200Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0628-A11757-200Size:200 mg
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CAS Number
1346574-57-9

Chemical Information

Gsk2816126

GSK126 is a member of the class of methylindoles that is 1H-indole substituted by (2S)-butan-2-yl, methyl, N-[(4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]acetamide, and 6-(piperazin-1-yl)pyridin-3-yl groups at positions 1, 3, 4, and 6, respectively. It is a potent and highly selective inhibitor of EZH2 methyltransferase (IC50 = 9.9 nM). It has a role as an antiatherosclerotic agent, an EC 2.1.1.43 (enhancer of zeste homolog 2) inhibitor, an antineoplastic agent, an angiogenesis inhibitor, a neuroprotective agent and an anti-obesity agent. It is a secondary carboxamide, a member of pyridines, a pyridone, a methylindole and a N-arylpiperazine.

CAS Number1346574-57-9
PubChem CID68210102
IUPAC Name1-[(2S)-butan-2-yl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-(6-piperazin-1-yl-3-pyridinyl)indole-4-carboxamide
Molecular FormulaC31H38N6O2
Molecular Weight526.7
XLogP3.9
Topological Polar Surface Area91.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count39
Formal Charge0
Complexity972
SMILES
CC[C@H](C)N1C=C(C2=C(C=C(C=C21)C3=CN=C(C=C3)N4CCNCC4)C(=O)NCC5=C(C=C(NC5=O)C)C)C
InChI
InChI=1S/C31H38N6O2/c1-6-22(5)37-18-20(3)29-25(30(38)34-17-26-19(2)13-21(4)35-31(26)39)14-24(15-27(29)37)23-7-8-28(33-16-23)36-11-9-32-10-12-36/h7-8,13-16,18,22,32H,6,9-12,17H2,1-5H3,(H,34,38)(H,35,39)/t22-/m0/s1
InChIKey
FKSFKBQGSFSOSM-QFIPXVFZSA-N
Chemical Structure
2D Structure
2D structure of Gsk2816126
CAS: 1346574-57-9
CID: 68210102
Formula: C31H38N6O2
MW: 526.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight526.7
XLogP33.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass526.30562448
Monoisotopic Mass526.30562448
Topological Polar Surface Area91.3 Ų
Heavy Atom Count39
Formal Charge0
Complexity972
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
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