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GSK-J4 50mg

CAT: 0628-A12732-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0628-A12732-50Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1373423-53-0

Chemical Information

Gsk-J4

GSK-J4 is a member of the class of aminopyrimidines that is pyrimidine substituted by pyridin-2-yl, 3-ethoxy-3-oxopropylamino, and 1,2,4,5-tetrahydro-3H-3-benzazepin-3-yl groups at positions 2, 4, and 6, respectively. It is an inhibitor of the histone demethylase JMJD3/UTX. It has a role as a ferroptosis inducer, an EC 1.14.11.68 ([histone H3]-trimethyl-L-lysine(27) demethylase) inhibitor, an antineoplastic agent and a prodrug. It is an ethyl ester, a member of pyridines, a benzazepine, an aminopyrimidine, a secondary amino compound and a tertiary amino compound. It is functionally related to a GSK-J1.

CAS Number1373423-53-0
PubChem CID71729975
IUPAC Nameethyl 3-[[2-pyridin-2-yl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]amino]propanoate
Molecular FormulaC24H27N5O2
Molecular Weight417.5
XLogP4.3
Topological Polar Surface Area80.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Heavy Atom Count31
Formal Charge0
Complexity546
SMILES
CCOC(=O)CCNC1=CC(=NC(=N1)C2=CC=CC=N2)N3CCC4=CC=CC=C4CC3
InChI
InChI=1S/C24H27N5O2/c1-2-31-23(30)10-14-26-21-17-22(28-24(27-21)20-9-5-6-13-25-20)29-15-11-18-7-3-4-8-19(18)12-16-29/h3-9,13,17H,2,10-12,14-16H2,1H3,(H,26,27,28)
InChIKey
WBKCKEHGXNWYMO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Gsk-J4
CAS: 1373423-53-0
CID: 71729975
Formula: C24H27N5O2
MW: 417.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight417.5
XLogP34.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Exact Mass417.21647512
Monoisotopic Mass417.21647512
Topological Polar Surface Area80.2 Ų
Heavy Atom Count31
Formal Charge0
Complexity546
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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4594/50GSK J4
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