Physicochemical Properties
| Molecular Formula | C22H20CL2N4 |
| Molecular Weight | 411.33 |
| Exact Mass | 410.107 |
| CAS # | 890087-21-5 |
| PubChem CID | 11711282 |
| Appearance | Light brown to brown solid powder |
| LogP | 6.631 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Heavy Atom Count | 28 |
| Complexity | 529 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | ClC1C(Cl)=CC(NC2C3=C(NC(C4CCCCC4)=N3)C3C(=CC=CC=3)N=2)=CC=1 |
| InChi Key | UWJVRSIGHHSDSJ-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C22H20Cl2N4/c23-16-11-10-14(12-17(16)24)25-22-20-19(15-8-4-5-9-18(15)26-22)27-21(28-20)13-6-2-1-3-7-13/h4-5,8-13H,1-3,6-7H2,(H,25,26)(H,27,28) |
| Chemical Name | 2-cyclohexyl-N-(3,4-dichlorophenyl)-3H-imidazo[4,5-c]quinolin-4-amine |
| Synonyms | LUF-6000; LUF 6000; LUF6000 |
| 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 | In an experiment conducted on HEK 293 cell membranes expressing human, dog, rabbit, or mouse A3 adenosine receptors, 10 μM LUF6000 was found to modify Cl-IB-MECA-induced [35S]GTPγS binding, with an EC50 varying from 39 to 172 nM [1]. |
| ln Vivo | LUF6000 has anti-inflammatory properties in three test |
| Animal Protocol | Animal/Disease Models: Rat adjuvant-induced arthritis, monoiodoacetic acid-induced osteoarthritis, and concanavalin A-induced mouse liver inflammation [2]. |
| References |
[1]. Du L, et al. Species differences and mechanism of action of A3 adenosine receptor allosteric modulators. Purinergic Signal. 2018;14(1):59-71. [2]. Cohen S, et al. A₃ adenosine receptor allosteric modulator induces an anti-inflammatory effect: in vivo studies and molecular mechanism of action. Mediators Inflamm. 2014;2014:708746. |
Solubility Data
| Solubility (In Vitro) | DMSO : ~14.29 mg/mL (~34.74 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 1.43 mg/mL (3.48 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 14.3 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: 1.43 mg/mL (3.48 mM) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), suspension solution; with ultrasonication. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 14.3 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: ≥ 1.43 mg/mL (3.48 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 14.3 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 | 2.4311 mL | 12.1557 mL | 24.3114 mL | |
| 5 mM | 0.4862 mL | 2.4311 mL | 4.8623 mL | |
| 10 mM | 0.2431 mL | 1.2156 mL | 2.4311 mL |