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G6PDi-1

CAT: 0804-HY-W107464-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W107464-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
G6PDi-1 is a reversible and non-competitive glucose-6-phosphate dehydrogenase (G6PD) inhibitor with an IC50 of 0.07 μM for human G6PD. G6PDi-1 depletes NADPH most strongly in lymphocytes. G6PDi-1 markedly decreases inflammatory cytokine production in T cells[1].
CAS Number
2457232-14-1
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
PDI
Type
Reference compound
Related Pathways
Cell Cycle/DNA Damage; Metabolic Enzyme/Protease
Applications
Metabolism-sugar/lipid metabolism
Field of Research
Metabolic Disease; Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/g6pdi-1.html
Purity
99.53
Solubility
DMSO : 50 mg/mL (ultrasonic)
Smiles
N#CC1=CC(NC2=NC=C(C(CCCC3)=O)C3=N2)=CS1
Molecular Formula
C14H12N4OS
Molecular Weight
284.34
Precautions
H302, H315, H319, H335
References & Citations
[1]Jonathan M Ghergurovich, et al. A small molecule G6PD inhibitor reveals immune dependence on pentose phosphate pathway. Nat Chem Biol. 2020 Jul;16 (7) :731-739.|[2]Watermann P, et al. G6PDi-1 is a Potent Inhibitor of G6PDH and of Pentose Phosphate pathway-dependent Metabolic Processes in Cultured Primary Astrocytes. Neurochem Res. 2023 Oct;48 (10) :3177-3189.|[3]Ding H, et al. Activation of the NRF2 antioxidant program sensitizes tumors to G6PD inhibition. Sci Adv. 2021 Nov 19;7 (47) :eabk1023.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

4-((5-Oxo-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl)amino)thiophene-2-carbonitrile
CAS Number2457232-14-1
PubChem CID145998284
IUPAC Name4-[(5-oxo-6,7,8,9-tetrahydrocyclohepta[d]pyrimidin-2-yl)amino]thiophene-2-carbonitrile
Molecular FormulaC14H12N4OS
Molecular Weight284.34
XLogP2.3
Topological Polar Surface Area107
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count20
Formal Charge0
Complexity421
SMILES
C1CCC(=O)C2=CN=C(N=C2C1)NC3=CSC(=C3)C#N
InChI
InChI=1S/C14H12N4OS/c15-6-10-5-9(8-20-10)17-14-16-7-11-12(18-14)3-1-2-4-13(11)19/h5,7-8H,1-4H2,(H,16,17,18)
InChIKey
USWCHVCZOGGQQA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-((5-Oxo-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl)amino)thiophene-2-carbonitrile
CAS: 2457232-14-1
CID: 145998284
Formula: C14H12N4OS
MW: 284.34
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight284.34
XLogP32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass284.07318219
Monoisotopic Mass284.07318219
Topological Polar Surface Area107 Ų
Heavy Atom Count20
Formal Charge0
Complexity421
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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Alternative Products

CatalogName
7561/10G6PDi 1
BUP02972-01G6PDi-1
M37586-01G6PDi-1 B
OF59775-011,1,1,1,1-Kestoheptaose
1120401,1,1,1-Kestohexose

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