Physicochemical Properties
| Molecular Formula | C24H44O2 |
| Molecular Weight | 364.60496 |
| Exact Mass | 364.334 |
| CAS # | 220757-88-0 |
| PubChem CID | 9799188 |
| Appearance | Light yellow to yellow ointment |
| LogP | 7.145 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 15 |
| Heavy Atom Count | 26 |
| Complexity | 420 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | O=C1C(C)=C(CCCCCCCCCCCCCCCO)C(C)(C)CC1 |
| InChi Key | FGMAOXGOTRUOKJ-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C24H44O2/c1-21-22(24(2,3)19-18-23(21)26)17-15-13-11-9-7-5-4-6-8-10-12-14-16-20-25/h25H,4-20H2,1-3H3 |
| Chemical Name | 3-(15-hydroxypentadecyl)-2,4,4-trimethylcyclohex-2-en-1-one |
| 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 | tCFA15 (10 nM-1 μM) stimulates neuronal development at the expense of astrocytes via Notch1, which has a dose-dependent effect on the differentiation of neural stem cell-derived neurospheres. Notch1 mRNA levels in spheroids are selectively decreased by tCFA15 (1 μM), and this effect is similarly seen in lower Notch1 expression in cultures of neurons and glia [1]. Neurohypophyseal nerve terminals secrete arginine vasopressin when tCFA15 is present [2]. |
| References |
[1]. tCFA15, a trimethyl cyclohexenonic long-chain fatty alcohol, affects neural stem fate and differentiation by modulating Notch1 activity. Eur J Pharmacol. 2013 Oct 15;718(1-3):383-92. [2]. 3-(15-Hydroxypentadecyl)-2,4,4-trimethyl-2-cyclohexen-1-one and its effect on neuropeptide secretion. Bioorg Med Chem Lett. 2000 Nov 20;10(22):2537-9. |
| Additional Infomation | 2-Cyclohexen-1-one, 3-(15-hydroxypentadecyl)-2,4,4-trimethyl- is a long-chain fatty alcohol. |
Solubility Data
| Solubility (In Vitro) | DMSO : ~130 mg/mL (~356.56 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.17 mg/mL (5.95 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 21.7 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: ≥ 2.17 mg/mL (5.95 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 21.7 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 | 2.7427 mL | 13.7137 mL | 27.4273 mL | |
| 5 mM | 0.5485 mL | 2.7427 mL | 5.4855 mL | |
| 10 mM | 0.2743 mL | 1.3714 mL | 2.7427 mL |