Physicochemical Properties
| Molecular Formula | C23H39NO2 |
| Molecular Weight | 361.56126 |
| Exact Mass | 361.298 |
| CAS # | 55986-43-1 |
| Related CAS # | 55986-43-1;64059-66-1 (Na+); |
| PubChem CID | 47263 |
| Appearance | White to off-white solid powder |
| Density | 1.0±0.1 g/cm3 |
| Boiling Point | 503.4±33.0 °C at 760 mmHg |
| Flash Point | 258.3±25.4 °C |
| Vapour Pressure | 0.0±1.4 mmHg at 25°C |
| Index of Refraction | 1.521 |
| LogP | 9.68 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 17 |
| Heavy Atom Count | 26 |
| Complexity | 324 |
| Defined Atom Stereocenter Count | 0 |
| InChi Key | QXWKHSSBFQDQPR-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C23H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-24-22-18-16-21(17-19-22)23(25)26/h16-19,24H,2-15,20H2,1H3,(H,25,26) |
| Chemical Name | 4-(hexadecylamino)benzoic acid |
| Synonyms | Cetaben |
| 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 | HepG2 and MH1C1 cells undergo substantial micromorphological and ultrastructural alterations when exposed to cetaben (10 µM) for a whole day. Following exposure to 100 µM cetaben, cells have several Golgi regions, the majority of which break down into vesicles [2]. Significant variety in the peroxisomal population is observed in cells treated with Cetaben (10 µM; 24 hours); dumbbell- and cup-shaped peroxisomal features develop in MH1C1 cells [2]. |
| ln Vivo | During the course of ten days, Cetaben, at dosages ranging from 50 to 100 mg/kg body weight, significantly increased the activity of peroxisomal enzymes in the liver and kidneys; however, the highest effect was noted at a dose of 250 mg/kg [1]. |
| Animal Protocol |
Animal/Disease Models: Male Wistar rat[1] Doses: 10, 25, 50, 100, 250 and 500 mg/kg Route of Administration: gavage; 10-day Experimental Results: At doses of 50-100 mg/kg body weight, 10 The activity of peroxisomal enzymes in the liver and kidneys increased Dramatically after days, but the maximum effect was observed at the 250 mg/kg dose. |
| References |
[1]. Cetaben and fibrates both influence the activities of peroxisomal enzymes in different ways. Biochem Pharmacol. 1994 Feb 9;47(3):515-9. [2]. Cetaben-induced changes on the morphology and peroxisomal enzymes in MH1C1 rat hepatomacells and HepG2 human hepatoblastoma cells. Histochem Cell Biol. 2001 Jun;115(6):509-19. |
| Additional Infomation | Cetaben is a unique, PPARalpha-independent peroxisome proliferator with hypolipidemic activity. Cetaben decreases serum cholesterol levels by inhibiting cholesterol biosynthesis. |
Solubility Data
| Solubility (In Vitro) | DMSO : ~25 mg/mL (~69.14 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: 2.5 mg/mL (6.91 mM) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution; with sonication. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 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: ≥ 2.5 mg/mL (6.91 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 25.0 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 | 2.7658 mL | 13.8290 mL | 27.6579 mL | |
| 5 mM | 0.5532 mL | 2.7658 mL | 5.5316 mL | |
| 10 mM | 0.2766 mL | 1.3829 mL | 2.7658 mL |