Physicochemical Properties
| Molecular Formula | C20H32CLN |
| Molecular Weight | 321.933 |
| Exact Mass | 321.222 |
| CAS # | 16496-99-4 |
| Related CAS # | Leelamine;1446-61-3 |
| PubChem CID | 16759156 |
| Appearance | White to off-white solid powder |
| LogP | 6.281 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 2 |
| Heavy Atom Count | 22 |
| Complexity | 376 |
| Defined Atom Stereocenter Count | 3 |
| SMILES | CC(C)C1=CC2=C(C=C1)[C@]3(CCC[C@@]([C@@H]3CC2)(C)CN)C.Cl |
| InChi Key | CVPQLGCAWUAYPF-WFBUOHSLSA-N |
| InChi Code | InChI=1S/C20H31N.ClH/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4;/h6,8,12,14,18H,5,7,9-11,13,21H2,1-4H3;1H/t18-,19-,20+;/m0./s1 |
| Chemical Name | ((1R,4aS,10aR)-7-isopropyl-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthren-1-yl)methanamine hydrochloride |
| Synonyms | Leelamine hydrochlorideDehydroabietylamine HCl Leelamine HCl Leelamine NSC 2955 NSC2955NSC-2955 |
| 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 Note: Please store this product in a sealed and protected environment, avoid exposure to moisture. |
| 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]. Leelamine mediates cancer cell death through inhibition of intracellular cholesterol transport. Mol Cancer Ther. 2014 Jul;13(7):1690-703. [2]. Therapeutic Potentials and uses of Cannabinoid Agonists in Health and Disease Conditions. British Journal of Pharmacology and Toxicology 3(2): 76-88, 2012. [3]. Leelamine is a Novel Lipogenesis Inhibitor in Prostate Cancer Cells In Vitro and In Vivo. Mol Cancer Ther. 2019 Aug 8. |
Solubility Data
| Solubility (In Vitro) | DMSO : ~25 mg/mL (~77.66 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (7.77 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 25.0 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: ≥ 2.5 mg/mL (7.77 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 25.0 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. Solubility in Formulation 3: ≥ 2.5 mg/mL (7.77 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 | 3.1063 mL | 15.5313 mL | 31.0627 mL | |
| 5 mM | 0.6213 mL | 3.1063 mL | 6.2125 mL | |
| 10 mM | 0.3106 mL | 1.5531 mL | 3.1063 mL |