Physicochemical Properties
| Molecular Formula | C29H27FN6O4S |
| Molecular Weight | 574.625888109207 |
| Exact Mass | 574.179 |
| CAS # | 1416334-69-4 |
| Related CAS # | 1416334-69-4 GSK-A1 |
| PubChem CID | 71116366 |
| Appearance | White to off-white solid powder |
| Density | 1.5±0.1 g/cm3 |
| Boiling Point | 829.8±75.0 °C at 760 mmHg |
| Flash Point | 455.7±37.1 °C |
| Vapour Pressure | 0.0±3.0 mmHg at 25°C |
| Index of Refraction | 1.696 |
| LogP | 4.18 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 7 |
| Heavy Atom Count | 41 |
| Complexity | 959 |
| Defined Atom Stereocenter Count | 0 |
| InChi Key | AJOGHKUZDLYXKS-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C29H27FN6O4S/c1-39-28-27(41(37,38)34-24-5-3-2-4-23(24)30)17-20(18-32-28)19-6-11-25-26(16-19)36(29(31)33-25)22-9-7-21(8-10-22)35-12-14-40-15-13-35/h2-11,16-18,34H,12-15H2,1H3,(H2,31,33) |
| Chemical Name | 5-[2-amino-3-(4-morpholin-4-ylphenyl)benzimidazol-5-yl]-N-(2-fluorophenyl)-2-methoxypyridine-3-sulfonamide |
| 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 | In HeLa cells, GSK-A1 (100 nM, 30 minutes) decreases HSPA1A's plasma membrane localization [2]. The effects of doxorubicin on leukemia cells are enhanced by GSK-A1 (0-8 μM, 48 hours); in HEK293A cells, GSK-A1 (0-50 nM) promotes the phosphorylation of LATS and YAP [4]. cells (K562/Adr and HL-60/Adr) [3]. |
| References |
[1]. Pharmacological and genetic targeting of the PI4KA enzyme reveals its important role in maintaining plasma membrane phosphatidylinositol 4-phosphate and phosphatidylinositol 4,5-bisphosphate levels. J Biol Chem. 2014 Feb 28;289(9):6120-32. [2]. Phosphatidylinositol Monophosphates Regulate the Membrane Localization of HSPA1A, a Stress-Inducible 70-kDa Heat Shock Protein. Biomolecules. 2022 Jun 20;12(6):856. [3]. Targeting PI4KA sensitizes refractory leukemia to chemotherapy by modulating the ERK/AMPK/OXPHOS axis. Theranostics. 2022 Oct 3;12(16):6972-6988. [4]. Hippo pathway regulation by phosphatidylinositol transfer protein and phosphoinositides. Nat Chem Biol. 2022 Oct;18(10):1076-1086. |
Solubility Data
| Solubility (In Vitro) |
DMSO : ≥ 2 mg/mL (~3.48 mM) H2O : < 0.1 mg/mL |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 0.2 mg/mL (0.35 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% 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 2.0 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: ≥ 0.2 mg/mL (0.35 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 2.0 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 | 1.7403 mL | 8.7013 mL | 17.4025 mL | |
| 5 mM | 0.3481 mL | 1.7403 mL | 3.4805 mL | |
| 10 mM | 0.1740 mL | 0.8701 mL | 1.7403 mL |