PeptideDB

IOX4 1154097-71-8

IOX4 1154097-71-8

CAS No.: 1154097-71-8

OX4 is a potent inhibitor of PHD2 (IC50 = 1.6 nM). IOX4 induces HIFα in cells and in wildtype mice with marked inductio
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OX4 is a potent inhibitor of PHD2 (IC50 = 1.6 nM). IOX4 induces HIFα in cells and in wildtype mice with marked induction in the brain tissue, revealing that it is useful for studies aimed at validating the upregulation of HIF for treatment of cerebral diseases including stroke.


Physicochemical Properties


Molecular Formula C15H16N6O3
Molecular Weight 328.32594203949
Exact Mass 328.128
Elemental Analysis C, 54.87; H, 4.91; N, 25.60; O, 14.62
CAS # 1154097-71-8
PubChem CID 24812792
Appearance Light yellow to yellow solid powder
Density 1.4±0.1 g/cm3
Boiling Point 502.2±60.0 °C at 760 mmHg
Flash Point 257.5±32.9 °C
Vapour Pressure 0.0±1.3 mmHg at 25°C
Index of Refraction 1.673
LogP 0.73
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 5
Heavy Atom Count 24
Complexity 544
Defined Atom Stereocenter Count 0
SMILES

O(C(C1=CN=C(C=C1)N1C(C(=CN1)N1C=CN=N1)=O)=O)C(C)(C)C

InChi Key HWQQDVNGHZIALS-UHFFFAOYSA-N
InChi Code

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
Chemical Name

tert-butyl 6-[3-oxo-4-(triazol-1-yl)-1H-pyrazol-2-yl]pyridine-3-carboxylate
Synonyms

IOX4; IOX-4; IOX 4.
HS Tariff Code 2934.99.9001
Storage

Powder-20°C 3 years

4°C 2 years

In solvent -80°C 6 months

-20°C 1 month

Shipping Condition Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)

Biological Activity


ln Vitro IOX4 (1-100 μM; 5 hours) found that the EC50 of HIF1α-induced MCF-7, Hep3B, and U2OS were, in that order, 114 μM, 86 μM, and 49.5 μM [1].
References

[1]. 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.


Solubility Data


Solubility (In Vitro) DMSO : ~50 mg/mL (~152.29 mM)
Solubility (In Vivo) Solubility in Formulation 1: 2.5 mg/mL (7.61 mM) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), suspension solution; with sonication.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL.
Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution.

Solubility in Formulation 2: ≥ 2.08 mg/mL (6.34 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly.
Preparation of 20% SBE-β-CD in Saline (4°C,1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution.

Solubility in Formulation 3: ≥ 2.08 mg/mL (6.34 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly.

 (Please use freshly prepared in vivo formulations for optimal results.)
Preparing Stock Solutions 1 mg 5 mg 10 mg
1 mM 3.0457 mL 15.2286 mL 30.4572 mL
5 mM 0.6091 mL 3.0457 mL 6.0914 mL
10 mM 0.3046 mL 1.5229 mL 3.0457 mL
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.