Physicochemical Properties
| Molecular Formula | C22H25CLN2O3S |
| Molecular Weight | 432.96 |
| Exact Mass | 432.127 |
| CAS # | 883976-12-3 |
| PubChem CID | 69316632 |
| Appearance | White to off-white solid powder |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 9 |
| Heavy Atom Count | 29 |
| Complexity | 473 |
| Defined Atom Stereocenter Count | 0 |
| InChi Key | FMQJBHACRTZLME-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C22H24N2O3S.ClH/c1-26-20-14-18(9-10-19(20)27-16-17-6-3-2-4-7-17)15-24(12-11-23)22(25)21-8-5-13-28-21;/h2-10,13-14H,11-12,15-16,23H2,1H3;1H |
| Chemical Name | N-(2-aminoethyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]thiophene-2-carboxamide;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
| Targets | TRPM8 |
| ln Vitro | M8-B (0-100 µM) decreases maximal Ca2+ uptake in a dose-dependent manner, hence inhibiting TRPM8 channel activity [1]. |
| ln Vivo | In rats and mice, M8-B (6 mg/kg; iv or ip) lowers deep body temperature[1]. |
| Animal Protocol |
Animal/Disease Models: Trpm8+/+ rats and mice[1] Doses: 6 mg/kg Route of Administration: Iv or ip Experimental Results: diminished deep body temperature (T(b)) in Trpm8+/+ rats and mice, but not in Trpm8−/− mice. |
| References |
[1]. Pharmacological blockade of the cold receptor TRPM8 attenuates autonomic and behavioral cold defenses and decreases deep body temperature. J Neurosci. 2012 Feb 8;32(6):2086-99. |
Solubility Data
| Solubility (In Vitro) | DMSO: 250 mg/mL (577.42 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (4.80 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 (4.80 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 (4.80 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 | 2.3097 mL | 11.5484 mL | 23.0968 mL | |
| 5 mM | 0.4619 mL | 2.3097 mL | 4.6194 mL | |
| 10 mM | 0.2310 mL | 1.1548 mL | 2.3097 mL |