Physicochemical Properties
| Molecular Formula | C24H36CLNO2 |
| Molecular Weight | 406.001146316528 |
| Exact Mass | 405.243 |
| CAS # | 473268-46-1 |
| PubChem CID | 2882960 |
| Appearance | White to off-white solid powder |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 7 |
| Heavy Atom Count | 28 |
| Complexity | 465 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | Cl.OC(CN1CCC2C(=CC=CC=2)C1)COCCC12CC3CC(C1)CC(C3)C2 |
| InChi Key | YZSRZEWBOXEFRJ-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C24H35NO2.ClH/c26-23(16-25-7-5-21-3-1-2-4-22(21)15-25)17-27-8-6-24-12-18-9-19(13-24)11-20(10-18)14-24;/h1-4,18-20,23,26H,5-17H2;1H |
| Chemical Name | 1-[2-(1-adamantyl)ethoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;hydrochloride |
| Synonyms | ADDA5 Hydrochloride ADDA 5 Hydrochloride ADDA-5 Hydrochloride |
| 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
| ln Vitro | Purified CcO from human glioblastoma and bovine heart had IC50 values of 18.93 μM and 31.82 μM for ADDA 5 HydroHClide, indicating that it is a somewhat non-competitive inhibitor of CcO. In GSCs generated from UTMZ and Jx22, ADDA 5 inhibits CcO activity with IC50 values of 21.4 ± 3.9 μM and 15.5 ± 2.8 μM, respectively. With an EC50 of 8.17 μM, ADDA 5 (25 μM) inhibits the development of UTMZ cells[1]. |
| ln Vivo | At dosages up to 80 mg/kg, ADDA 5 does not induce observable toxicity in animals, and it effectively suppressed tumor growth in mice (8 mg/kg, ip) [1]. |
| References | [1]. Oliva CR, et al. Identification of Small Molecule Inhibitors of Human Cytochrome c Oxidase That Target Chemoresistant Glioma Cells. J Biol Chem. 2016 Nov 11;291(46):24188-24199. Epub 2016 Sep 27 |
Solubility Data
| Solubility (In Vitro) |
DMSO : ~65 mg/mL (~160.10 mM) H2O : ~2 mg/mL (~4.93 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (5.12 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 20.8 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: ≥ 2.08 mg/mL (5.12 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 20.8 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: ≥ 2.08 mg/mL (5.12 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 20.8 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 | 2.4631 mL | 12.3153 mL | 24.6305 mL | |
| 5 mM | 0.4926 mL | 2.4631 mL | 4.9261 mL | |
| 10 mM | 0.2463 mL | 1.2315 mL | 2.4631 mL |