Physicochemical Properties
| Molecular Formula | C17H13N5O2 |
| Molecular Weight | 319.317422628403 |
| Exact Mass | 319.106 |
| CAS # | 1628332-52-4 |
| PubChem CID | 135567128 |
| Appearance | White to off-white solid powder |
| LogP | 1.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Heavy Atom Count | 24 |
| Complexity | 491 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | O(C1=NC2C=NC=CC=2C(N1)=O)C1C=NN(C=1)CC1C=CC=CC=1 |
| InChi Key | ZTYRLXUTLYBVHH-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C17H13N5O2/c23-16-14-6-7-18-9-15(14)20-17(21-16)24-13-8-19-22(11-13)10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H,20,21,23) |
| Chemical Name | 2-(1-benzylpyrazol-4-yl)oxy-3H-pyrido[3,4-d]pyrimidin-4-one |
| Synonyms | GSK 467; GSK-467; GSK467 |
| 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 | GSK467 (0-100 μM; 6 days) exhibits antiproliferative effects on human multiple myeloma tumor cells [1]. The 2-OG binding pocket is located by GSK467 [2]. GSK467 prevents the spheroid and colony formation of HCC cells. |
| ln Vivo | In female BALB/c nude mice, GSK-467 can suppress the development and proliferation of HCC tumor cells by upregulating the expression of miR-448 and blocking YTHDF3/ITGA6 blue [3]. |
| Cell Assay |
cell proliferation assay [1] Cell Types: Human multiple myeloma tumor cell line MM.1S Tested Concentrations: 0-100 μM Incubation Duration: 6 days Experimental Results: Demonstrated anti-proliferation Effect, IC50>50 μM. |
| References |
[1]. Structural analysis of human KDM5B guides histone demethylase inhibitor development. Nat Chem Biol. 2016 Jul;12(7):539-45. [2]. Targeting histone demethylase KDM5B for cancer treatment. Eur J Med Chem. 2020 Dec 15;208:112760. [3]. KDM5B promotes self-renewal of hepatocellular carcinoma cells through the microRNA-448-mediated YTHDF3/ITGA6 axis. J Cell Mol Med. 2021 Apr 7;25(13):5949–62. |
Solubility Data
| Solubility (In Vitro) |
DMSO : ~20.83 mg/mL (~65.23 mM) H2O : < 0.1 mg/mL |
| Solubility (In Vivo) |
Solubility in Formulation 1: 2.08 mg/mL (6.51 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 20.8 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 (6.51 mM) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), suspension solution; with ultrasonication. 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. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 3.1317 mL | 15.6583 mL | 31.3165 mL | |
| 5 mM | 0.6263 mL | 3.1317 mL | 6.2633 mL | |
| 10 mM | 0.3132 mL | 1.5658 mL | 3.1317 mL |