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GSK J1 50mg

CAT: 0628-A12918-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0628-A12918-50Size:50 mg
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CAS Number
1373422-53-7

Chemical Information

Gsk-J1

GSK-J1 is a monocarboxylic acid, a member of pyridines, a benzazepine, an aminopyrimidine, a secondary amino compound and a tertiary amino compound. It has a role as an EC 1.14.11.68 ([histone H3]-trimethyl-L-lysine(27) demethylase) inhibitor and an antineoplastic agent.

CAS Number1373422-53-7
PubChem CID56963315
IUPAC Name3-[[2-pyridin-2-yl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]amino]propanoic acid
Molecular FormulaC22H23N5O2
Molecular Weight389.4
XLogP3.6
Topological Polar Surface Area91.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count29
Formal Charge0
Complexity517
SMILES
C1CN(CCC2=CC=CC=C21)C3=NC(=NC(=C3)NCCC(=O)O)C4=CC=CC=N4
InChI
InChI=1S/C22H23N5O2/c28-21(29)8-12-24-19-15-20(26-22(25-19)18-7-3-4-11-23-18)27-13-9-16-5-1-2-6-17(16)10-14-27/h1-7,11,15H,8-10,12-14H2,(H,28,29)(H,24,25,26)
InChIKey
AVZCPICCWKMZDT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Gsk-J1
CAS: 1373422-53-7
CID: 56963315
Formula: C22H23N5O2
MW: 389.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight389.4
XLogP33.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass389.18517499
Monoisotopic Mass389.18517499
Topological Polar Surface Area91.2 Ų
Heavy Atom Count29
Formal Charge0
Complexity517
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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