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IOX4

CAT: 0804-HY-120110-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-120110-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
IOX4 is a selective HIF prolyl-hydroxylase 2 (PHD2) inhibitor with an IC50 value of 1.6 nM, induces HIFα in cells and in wildtype mice with marked induction in the brain tissue. IOX4 competes with and displaces 2-oxoglutarate (2OG) at the active site of PHD2[1].
CAS Number
1154097-71-8
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
HIF/HIF Prolyl-Hydroxylase
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology; Neurological Disease
Assay Protocol
https://www.medchemexpress.com/iox4.html
Concentration
10mM
Purity
99.74
Solubility
DMSO : 50 mg/mL (ultrasonic)
Smiles
O=C(C1=CC=C(N2NC=C(N3N=NC=C3)C2=O)N=C1)OC(C)(C)C
Molecular Formula
C15H16N6O3
Molecular Weight
328.33
Precautions
H302, H315, H319, H335
References & Citations
[1]Chan MC, et al. Potent and Selective Triazole-Based Inhibitors of the Hypoxia-Inducible Factor Prolyl-Hydroxylases with Activity in the Murine Brain. PLoS One. 2015 Jul 6;10 (7) :e0132004.
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

tert-butyl 6-(5-oxo-4-(1H-1,2,3-triazol-1-yl)-2,5-dihydro-1H-pyrazol-1-yl)nicotinate
CAS Number1154097-71-8
PubChem CID24812792
IUPAC Nametert-butyl 6-[3-oxo-4-(triazol-1-yl)-1H-pyrazol-2-yl]pyridine-3-carboxylate
Molecular FormulaC15H16N6O3
Molecular Weight328.33
XLogP1.2
Topological Polar Surface Area102
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count24
Formal Charge0
Complexity544
SMILES
CC(C)(C)OC(=O)C1=CN=C(C=C1)N2C(=O)C(=CN2)N3C=CN=N3
InChI
InChI=1S/C15H16N6O3/c1-15(2,3)24-14(23)10-4-5-12(16-8-10)21-13(22)11(9-18-21)20-7-6-17-19-20/h4-9,18H,1-3H3
InChIKey
HWQQDVNGHZIALS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of tert-butyl 6-(5-oxo-4-(1H-1,2,3-triazol-1-yl)-2,5-dihydro-1H-pyrazol-1-yl)nicotinate
CAS: 1154097-71-8
CID: 24812792
Formula: C15H16N6O3
MW: 328.33
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight328.33
XLogP31.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass328.12838839
Monoisotopic Mass328.12838839
Topological Polar Surface Area102 Ų
Heavy Atom Count24
Formal Charge0
Complexity544
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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