Flumexadol is a selective and affinity 5-HT2C receptor agonist (activator) with Ki of 25 nM for the (+)-enantiomer of Flumexadol and 40-fold selectivity over the 5-HT2A receptor. Flumexadol is an orally biologically active compound studied for pain relief.

Physicochemical Properties

Molecular Formula	C11H12NOF3
Molecular Weight	231.21428
Exact Mass	231.087
CAS #	30914-89-7
PubChem CID	65774
Appearance	Colorless to light yellow liquid
Density	1.209g/cm3
Boiling Point	271.5ºC at 760mmHg
Flash Point	118ºC
Index of Refraction	1.464
LogP	2.695
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Heavy Atom Count	16
Complexity	232
Defined Atom Stereocenter Count	0
SMILES	C1=CC(=CC(=C1)C(F)(F)F)C2CNCCO2
InChi Key	GXPYCYWPUGKQIJ-UHFFFAOYSA-N
InChi Code	InChI=1S/C11H12F3NO/c12-11(13,14)9-3-1-2-8(6-9)10-7-15-4-5-16-10/h1-3,6,10,15H,4-5,7H2
Chemical Name	2-[3-(trifluoromethyl)phenyl]morpholine
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 Vivo

Urine from rats and dogs given 14C-Flumexadol (CERM1841) contained 14C. Compared to rats, dog feces had a noticeably greater 14C removal rate. In both species, conjugated metabolites, primarily glucuronides, were responsible for the majority of urine radioactivity. These two species' biotransformation products are mostly acids, with a small number of alkaline metabolites and a few neutral compounds coming in second and third, respectively. Three-trifluoromethylhippuric acid and three-trifluoromethylbenzoic acid are the main urine metabolites in rats. In dogs, 3-trifluoromethylmandelic acid is present in addition to benzoic acid and its conjugates. The medication that remained intact and 1-amino-2-hydroxy-2-(3-trifluoromethylphenyl)ethane, of which the former was predominant, were the basic components found in the urine of both species [3].

References

[1]. The pharmacology of 1841 CERM, a new analgesic. Arzneimittelforschung. 1978;28(4):642-5. [2]. Nilsson BM. 5-Hydroxytryptamine 2C (5-HT2C) receptor agonists as potential antiobesity agents. J Med Chem. 2006 Jul 13;49(14):4023-34. [3]. Metabolites of 2-(3-trifluoromethylphenyl)tetrahydro-1,4-oxazine (CERM) 1841) in rats and dogs. Xenobiotica. 1979 Nov;9(11):703-11.

Solubility Data

Solubility (In Vitro)

DMSO : ~33.33 mg/mL (~144.15 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (10.81 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 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 (10.81 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 25.0 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: ≥ 2.5 mg/mL (10.81 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	4.3251 mL	21.6254 mL	43.2507 mL
	5 mM	0.8650 mL	4.3251 mL	8.6501 mL
	10 mM	0.4325 mL	2.1625 mL	4.3251 mL

*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.