MF-438 is a potent and orally bioavailable inhibitor of staroyl-CoA desaturase 1 (SCD1) with IC50 of 2.3 nM for rSCD1.

Physicochemical Properties

Molecular Formula	C19H18F3N5OS
Molecular Weight	421.439332485199
Exact Mass	421.118
CAS #	921605-87-0
PubChem CID	16042458
Appearance	Light yellow to orange solid powder
LogP	3.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	4
Heavy Atom Count	29
Complexity	535
Defined Atom Stereocenter Count	0
SMILES	FC(C1C(OC2CCN(C3C=CC(C4SC(C)=NN=4)=NN=3)CC2)=CC=CC=1)(F)F
InChi Key	NVUJDKDVOZVALT-UHFFFAOYSA-N
InChi Code	InChI=1S/C19H18F3N5OS/c1-12-23-26-18(29-12)15-6-7-17(25-24-15)27-10-8-13(9-11-27)28-16-5-3-2-4-14(16)19(20,21)22/h2-7,13H,8-11H2,1H3
Chemical Name	2-methyl-5-(6-(4-(2-(trifluoromethyl)phenoxy)piperidin-1-yl)pyridazin-3-yl)-1,3,4-thiadiazole
Synonyms	MF 438 MF438MF-438
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	In mouse models, MF-438 has an ED50 of 1 to 3 mg/kg [1].
References	[1]. Synthesis and biological activity of a potent and orally bioavailable SCD inhibitor (MF-438). Bioorg Med Chem Lett. 2010 Jan 15;20(2):499-502.

Solubility Data

Solubility (In Vitro)

DMF : 50 mg/mL (~118.64 mM) DMSO : ~25 mg/mL (~59.32 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 4.55 mg/mL (10.80 mM) (saturation unknown) in 10% DMF 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution. 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 (5.93 mM) (saturation unknown) in 10% DMF 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. Solubility in Formulation 3: ≥ 0.83 mg/mL (1.97 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 8.3 mg/mL clear DMSO stock solution to 400 μL of PEG300 and mix evenly; then add 50 μL of Tween-80 to the above solution and mix evenly; then add 450 μL of 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 4: ≥ 0.83 mg/mL (1.97 mM) 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 8.3 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 5: 10% DMSO + 90% Corn Oil  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	2.3728 mL	11.8641 mL	23.7282 mL
	5 mM	0.4746 mL	2.3728 mL	4.7456 mL
	10 mM	0.2373 mL	1.1864 mL	2.3728 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.