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 |