Physicochemical Properties
| Molecular Formula | C18H17CL2N5 |
| Molecular Weight | 374.267081022263 |
| Exact Mass | 373.086 |
| CAS # | 1443290-89-8 |
| PubChem CID | 86272454 |
| Appearance | White to off-white solid powder |
| LogP | 5.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Heavy Atom Count | 25 |
| Complexity | 446 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | ClC1C=CC2=C(C=1)C(C)(C)C1C=C(C=CC=1N2CCC1N=NNN=1)Cl |
| InChi Key | GQPMJOXQJUGJPG-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C18H17Cl2N5/c1-18(2)13-9-11(19)3-5-15(13)25(8-7-17-21-23-24-22-17)16-6-4-12(20)10-14(16)18/h3-6,9-10H,7-8H2,1-2H3,(H,21,22,23,24) |
| Chemical Name | 2,7-dichloro-9,9-dimethyl-10-[2-(2H-tetrazol-5-yl)ethyl]acridine |
| 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 | EC50: 36.3 μM (K2P2.1 (TREK-1)), 9.7 μM (K2P2.1 (TREK-1), in HEK293 cells)[1]. |
| ln Vitro | K2P2.1 (TREK-1) W275S, K2P2.1 (TREK-1)-3G, K2P10.1 (TREK-2), and K2P4.1 (TRAAK) have EC50 values of 21.8±1.3 μM, 49.4±1.1 μM, 30.2±1.4 μM, and 27.3±1.2 μM, respectively. ML67-33 is known to activate K2P channels and variants. |
| References |
[1]. A high-throughput functional screen identifies small molecule regulators of temperature- and mechano-sensitive K2P channels. ACS Chem Biol. 2013 Aug 16;8(8):1841-51. |
Solubility Data
| Solubility (In Vitro) | DMSO: 100 mg/mL (267.19 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 1.25 mg/mL (3.34 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 12.5 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 | 2.6719 mL | 13.3593 mL | 26.7187 mL | |
| 5 mM | 0.5344 mL | 2.6719 mL | 5.3437 mL | |
| 10 mM | 0.2672 mL | 1.3359 mL | 2.6719 mL |