Physicochemical Properties
| Molecular Formula | C18H36O3 |
| Molecular Weight | 300.48 |
| Exact Mass | 300.266 |
| CAS # | 3384-24-5 |
| PubChem CID | 9570127 |
| Appearance | White to off-white solid powder |
| LogP | 5.303 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 16 |
| Heavy Atom Count | 21 |
| Complexity | 229 |
| Defined Atom Stereocenter Count | 0 |
| InChi Key | RKHXDCVAPIMDMG-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C18H36O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h17,19H,2-16H2,1H3,(H,20,21) |
| Chemical Name | 9-hydroxyoctadecanoic 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
| Targets | HDAC1 |
| ln Vitro | In the three-dimensional model of the human HDAC1 protein, 9-Hydroxyoctadecanoic acid (9-HSA) can bind to the active site [1]. Increased transcription and translation of p21WAF1 is observed upon exposure to 100 μM of 9-Hydroxyoctadecanoic acid (9-HSA) over 24 hours, which also causes G0/G1 arrest and reduces the proliferation of HT29 cells [2]. |
| Cell Assay |
Cell Proliferation Assay[1]. Cell Types: HT29 cell Tested Concentrations: 100 μM Incubation Duration: 24 h Experimental Results: Resulted in a significant inhibition of cell proliferation. Cell Cycle Analysis[1]. Cell Types: HT29 cell Tested Concentrations: 100 μM Incubation Duration: 24 h Experimental Results: diminished S-phase activity by 50.2% compared with untreated controls, and the growth inhibition was associated with a strong arrest in G0/G1. Western Blot Analysis[1]. Cell Types: HT29 cell Tested Concentrations: 100 μM Incubation Duration: 24 h Experimental Results: Increased the expression of p21WAF1. RT-PCR[1]. Cell Types: HT29 cell Tested Concentrations: 100 μM Incubation Duration: 24 h Experimental Results: Induced p21WAF1 tanscript. |
| References |
[1]. Histone deacetylase 1: a target of 9-hydroxystearic acid in the inhibition of cell growth in human colon cancer. J Lipid Res. 2005 Aug;46(8):1596-603. [2]. 9-Hydroxystearic acid upregulates p21(WAF1) in HT29 cancer cells. Biochem Biophys Res Commun. 2004 Jan 30;314(1):138-42. |
| Additional Infomation | 9-hydroxyoctadecanoic acid is a hydroxyoctadecanoic acid that is octadecanoic acid (stearic acid) which has been substituted by a hydroxy group at position 9. It is a conjugate acid of a 9-hydroxyoctadecanoate. |
Solubility Data
| Solubility (In Vitro) | DMSO : ≥ 100 mg/mL (332.80 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (8.32 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 25.0 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 | 3.3280 mL | 16.6400 mL | 33.2801 mL | |
| 5 mM | 0.6656 mL | 3.3280 mL | 6.6560 mL | |
| 10 mM | 0.3328 mL | 1.6640 mL | 3.3280 mL |