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DC-PGKI

CAT: 0804-HY-177944Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-177944Size:1 Each
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Description
DC-PGKI is an orally active ATP-competitive PGK1 inhibitor (IC50 = 0.16 Μm, Kd = 99.08 nM) . DC-PGKI stabilizes PGK1 in vitro and in vivo, and suppresses both glycolytic activity and the kinase function of PGK1. DC-PGKI-mediated inhibition of PGK1 leads to the accumulation of NRF2 (nuclear factor-erythroid factor 2-related factor 2, NFE2L2), which then translocates to the nucleus, binds to the proximal regions of IL-1β and IL-6 genes, and suppresses the LPS-induced expression of these genes. DC-PGKI can be used for the study of colitis[1].
CAS Number
2829198-49-2
UNSPSC
12352005
Target
Interleukin Related; Keap1-Nrf2; Phosphoglycerate Kinase (PGK)
Related Pathways
Immunology/Inflammation; Metabolic Enzyme/Protease; NF-κB
Field of Research
Inflammation/Immunology
Smiles
O=C(N1CCN(C2=NC3=C(N=C2C(OCC)=O)C=C(Cl)C(Cl)=C3)CC1)NC(C=C4)=CC=C4N5CCNCC5
Molecular Formula
C26H29Cl2N7O3
Molecular Weight
558.46
References & Citations
[1]Liao L, et al. A potent PGK1 antagonist reveals PGK1 regulates the production of IL-1β and IL-6. Acta Pharm Sin B. 2022 Nov;12 (11) :4180-4192.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
IL-1; IL-6; PGK1

Chemical Information

Ethyl 6,7-dichloro-3-[4-[(4-piperazin-1-ylphenyl)carbamoyl]piperazin-1-yl]quinoxaline-2-carboxylate
CAS Number2829198-49-2
PubChem CID178421160
IUPAC Nameethyl 6,7-dichloro-3-[4-[(4-piperazin-1-ylphenyl)carbamoyl]piperazin-1-yl]quinoxaline-2-carboxylate
Molecular FormulaC26H29Cl2N7O3
Molecular Weight558.5
XLogP3.6
Topological Polar Surface Area103
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Heavy Atom Count38
Formal Charge0
Complexity804
SMILES
CCOC(=O)C1=NC2=CC(=C(C=C2N=C1N3CCN(CC3)C(=O)NC4=CC=C(C=C4)N5CCNCC5)Cl)Cl
InChI
InChI=1S/C26H29Cl2N7O3/c1-2-38-25(36)23-24(32-22-16-20(28)19(27)15-21(22)31-23)34-11-13-35(14-12-34)26(37)30-17-3-5-18(6-4-17)33-9-7-29-8-10-33/h3-6,15-16,29H,2,7-14H2,1H3,(H,30,37)
InChIKey
VOMHLXVSFXLZDS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ethyl 6,7-dichloro-3-[4-[(4-piperazin-1-ylphenyl)carbamoyl]piperazin-1-yl]quinoxaline-2-carboxylate
CAS: 2829198-49-2
CID: 178421160
Formula: C26H29Cl2N7O3
MW: 558.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight558.5
XLogP33.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass557.1708932
Monoisotopic Mass557.1708932
Topological Polar Surface Area103 Ų
Heavy Atom Count38
Formal Charge0
Complexity804
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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