Physicochemical Properties
| Molecular Formula | C15H19N2O5BR |
| Molecular Weight | 387.22576 |
| Exact Mass | 386.048 |
| CAS # | 78266-06-5 |
| PubChem CID | 54158 |
| Appearance | White to off-white solid powder |
| Density | 1.5766 (rough estimate) |
| Boiling Point | 577.4ºC at 760 mmHg |
| Melting Point | 193-198ºC |
| Flash Point | 303ºC |
| Index of Refraction | 1.6520 (estimate) |
| LogP | 1.857 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 7 |
| Heavy Atom Count | 23 |
| Complexity | 443 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | CC1=CC(C)=C(NC(CN(CC(O)=O)CC(O)=O)=O)C(C)=C1Br |
| InChi Key | MHPZZZZLAQGTHT-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C15H19BrN2O5/c1-8-4-9(2)15(10(3)14(8)16)17-11(19)5-18(6-12(20)21)7-13(22)23/h4H,5-7H2,1-3H3,(H,17,19)(H,20,21)(H,22,23) |
| Chemical Name | 2-[[2-(3-bromo-2,4,6-trimethylanilino)-2-oxoethyl]-(carboxymethyl)amino]acetic 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 | Tc-99m Mebrofenin is a 99mTc-labeled iminodiacetic acid (IDA) derivative that was initially used to detect biliary disorders and, more recently, to measure liver function [3]. |
| References |
[1]. Tc-99m mebrofenin hepatobiliary scan in obstructive hepatobiliary disease: determining causes with early and late delayed imaging. World J Nucl Med. 2013 May;12(2):54-6. [2]. Transsplenic portal scintigraphy using 99mTc-mebrofenin in normal dogs. Vet Radiol Ultrasound. 2007 May-Jun;48(3):286-91. [3]. Transporters involved in the hepatic uptake of (99m)Tc-mebrofenin and indocyanine green. J Hepatol. 2011 Apr;54(4):738-45. |
| Additional Infomation | Mebrofenin is an amino acid amide. |
Solubility Data
| Solubility (In Vitro) | DMSO : ~250 mg/mL (~645.61 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (5.37 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 (5.37 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 (5.37 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 | 2.5824 mL | 12.9122 mL | 25.8244 mL | |
| 5 mM | 0.5165 mL | 2.5824 mL | 5.1649 mL | |
| 10 mM | 0.2582 mL | 1.2912 mL | 2.5824 mL |