FAAH-IN-1 is a fatty acid amide hydrolase (FAAH) inhibitor (antagonist) with IC50s of 145 nM and 650 nM for rat and human FAAH, respectively.

Physicochemical Properties

Molecular Formula	C20H19CLN4OS
Molecular Weight	398.909061670303
Exact Mass	398.096
CAS #	1242441-47-9
PubChem CID	46909253
Appearance	White to off-white solid powder
LogP	3.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Heavy Atom Count	27
Complexity	528
Defined Atom Stereocenter Count	2
SMILES	[C@H]1(C(N(C)C)=O)C[C@@H]1C1=CC=C(C2=C(SC3=NC=C(Cl)C=C3)NC=N2)C=C1
InChi Key	JCDQNWAFZWEYBZ-CVEARBPZSA-N
InChi Code	InChI=1S/C20H19ClN4OS/c1-25(2)20(26)16-9-15(16)12-3-5-13(6-4-12)18-19(24-11-23-18)27-17-8-7-14(21)10-22-17/h3-8,10-11,15-16H,9H2,1-2H3,(H,23,24)/t15-,16+/m1/s1
Chemical Name	(1S,2S)-2-[4-[4-(5-chloropyridin-2-yl)sulfanyl-1H-imidazol-5-yl]phenyl]-N,N-dimethylcyclopropane-1-carboxamide
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	FAAH-IN-1 (Compound 8) is an inhibitor of fatty acid amide hydrolase (FAAH), with IC50 values for rat and human FAAH of 145 nM and 650 nM, respectively [1].
References	[1]. Discovery of MK-3168: A PET Tracer for Imaging Brain Fatty Acid Amide Hydrolase. ACS Med Chem Lett. 2013 Apr 20;4(6):509-13.

Solubility Data

Solubility (In Vitro)

DMSO : ~100 mg/mL (~250.68 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (6.27 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 (6.27 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 (6.27 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	2.5068 mL	12.5342 mL	25.0683 mL
	5 mM	0.5014 mL	2.5068 mL	5.0137 mL
	10 mM	0.2507 mL	1.2534 mL	2.5068 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.