 Chemical Structure.png)
Physicochemical Properties
| Molecular Formula | C23H29NO5 |
| Molecular Weight | 399.48 |
| Exact Mass | 399.204 |
| CAS # | 1185241-83-1 |
| PubChem CID | 45073473 |
| Appearance | White to off-white solid powder |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 10 |
| Heavy Atom Count | 29 |
| Complexity | 369 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | CCN(CC)CCOC1=CC=C(C=C1)CC2=CC=CC=C2.C(=C/C(=O)O)\C(=O)O |
| InChi Key | ZOOMDYHTGZSGDD-WLHGVMLRSA-N |
| InChi Code | InChI=1S/C19H25NO.C4H4O4/c1-3-20(4-2)14-15-21-19-12-10-18(11-13-19)16-17-8-6-5-7-9-17;5-3(6)1-2-4(7)8/h5-13H,3-4,14-16H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+ |
| Chemical Name | 2-(4-benzylphenoxy)-N,N-diethylethanamine;(E)-but-2-enedioic acid |
| 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 | Tesmilifene may affect how 12(S)HETE affects cancer cells, which could have an indirect effect on how susceptible cellular DNA is to chemotherapy[1]. |
| ln Vivo | Tesmilifene (DPPE, 20 μg (icv in 5 μL) and 20 mg/kg (sc)) increased the amount of seizures brought on by both convulsants[2]. |
| Animal Protocol |
Animal/Disease Models: Male BKTO mice (25-45 g)[2]. Doses: 20 mg/kg (sc) and 20 μg (icv in 5 μL). Route of Administration: SC and icv. Experimental Results: Potentiated seizures induced by both convulsants. |
| References |
[1]. Tesmilifene may enhance breast cancer chemotherapy by killing a clone of aggressive, multi-drug resistant cells through its action on the p-glycoprotein pump. Med Hypotheses. 2006;66(4):715-31. [2]. Modulation of the intracellular and H3-histamine receptors and chemically-induced seizures in mice Agents Actions. 1994 Jun;41 Spec No:C68-9. |
Solubility Data
| Solubility (In Vitro) | DMSO: 250 mg/mL (625.81 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (5.21 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 (5.21 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 (5.21 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 | 2.5033 mL | 12.5163 mL | 25.0325 mL | |
| 5 mM | 0.5007 mL | 2.5033 mL | 5.0065 mL | |
| 10 mM | 0.2503 mL | 1.2516 mL | 2.5033 mL |