Physicochemical Properties
| Molecular Formula | C34H66O4 |
| Molecular Weight | 538.89 |
| Exact Mass | 538.496 |
| CAS # | 1481636-31-0 |
| PubChem CID | 72189985 |
| Appearance | White to off-white solid powder |
| Density | 0.9±0.1 g/cm3 |
| Boiling Point | 619.2±38.0 °C at 760 mmHg |
| Flash Point | 177.3±20.3 °C |
| Vapour Pressure | 0.0±3.9 mmHg at 25°C |
| Index of Refraction | 1.466 |
| LogP | 14.36 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 32 |
| Heavy Atom Count | 38 |
| Complexity | 505 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | C(O)(=O)CCCCCCCC(OC(=O)CCCCCCCCCCCCCCC)CCCCCCCCC |
| InChi Key | MHQWHZLXDBVXML-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C34H66O4/c1-3-5-7-9-11-12-13-14-15-16-18-23-27-31-34(37)38-32(28-24-20-17-10-8-6-4-2)29-25-21-19-22-26-30-33(35)36/h32H,3-31H2,1-2H3,(H,35,36) |
| Chemical Name | 9-hexadecanoyloxyoctadecanoic acid |
| 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
| References |
[1].9-PAHSA Improves Cardiovascular Complications by Promoting Autophagic Flux and Reducing Myocardial Hypertrophy in Db/Db Mice. Front Pharmacol. 2021 Nov 15;12:754387. [2].9-PAHSA Prevents Mitochondrial Dysfunction and Increases the Viability of Steatotic Hepatocytes. Int J Mol Sci. 2020 Nov 5;21(21):8279. |
| Additional Infomation | 9-PAHSA is a FAHFA (fatty acid ester of a hydroxy fatty acid) obtained by formal condensation of the carboxy group of palmitic acid with the hydroxy group of 9-hydroxyoctadecanoic acid (9-hydroxystearic acid). It has a role as a human metabolite, a hypoglycemic agent and an anti-inflammatory agent. It is a FAHFA and a long-chain fatty acid. It is functionally related to a hexadecanoic acid and an octadecanoic acid. It is a conjugate acid of a 9-PAHSA(1-). |
Solubility Data
| Solubility (In Vitro) | DMSO :~5 mg/mL (~9.28 mM; with sonication (<80°C)) |
| Solubility (In Vivo) |
Solubility in Formulation 1: 0.5 mg/mL (0.93 mM) in 10% DMSO + 40% PEG300 + 5% Tween-80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one),clear solution; with ultrasonication. For example, if 1 mL of working solution is to be prepared,you can add 100 μL of 5.0 mg/mL clear DMSO stock solution and add it to 400 μL PEG300 and mix well. Then add 50 μL Tween-80 to the above system and mix well. Then continue to add 450 μL of physiological saline to make up 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: 0.5 mg/mL (0.93 mM) 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; with ultrasonication. For example, if 1 mL of working solution is to be prepared,you can add 100 μL of 5.0 mg/mL clear DMSO stock solution and add it to 900 μL of 20% SBE-β-CD saline solution and mix well. 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: 0.5 mg/mL (0.93 mM) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one),clear solution; with ultrasonication. For example, if 1 mL of working solution is to be prepared,you can add 100 μL of 5.0 mg/mL clear DMSO stock solution and add it to 900 μL corn oil and mix well. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.8557 mL | 9.2783 mL | 18.5567 mL | |
| 5 mM | 0.3711 mL | 1.8557 mL | 3.7113 mL | |
| 10 mM | 0.1856 mL | 0.9278 mL | 1.8557 mL |