MCHR1 antagonist 2 is a melanin concentrating hormone receptor 1 antagonist (inhibitor) with IC50 of 65 nM; MCHR1 antagonist 2 also inhibits hERG, with IC50 of 4.0 nM in IMR-32 cells.

Physicochemical Properties

Molecular Formula	C23H21FN2O5
Molecular Weight	424.421649694443
Exact Mass	424.143
CAS #	863115-70-2
PubChem CID	11464405
Appearance	White to off-white solid powder
LogP	3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Heavy Atom Count	31
Complexity	723
Defined Atom Stereocenter Count	0
SMILES	O=C1C2C(=CC=C(C=2)F)OC(C(NC2CCN(CC3C=C4C(OCO4)=CC=3)CC2)=O)=C1
InChi Key	HHCYCBKPWYJVEB-UHFFFAOYSA-N
InChi Code	InChI=1S/C23H21FN2O5/c24-15-2-4-19-17(10-15)18(27)11-22(31-19)23(28)25-16-5-7-26(8-6-16)12-14-1-3-20-21(9-14)30-13-29-20/h1-4,9-11,16H,5-8,12-13H2,(H,25,28)
Chemical Name	N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-6-fluoro-4-oxochromene-2-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	Compound 30, also known as MCHR1 Antagonist 2, has an IC50 of 65 nM, making it an antagonist of melanin-concentrating hormone receptor 1. With an IC50 of 196 ± 30 nM and 4.0 ± 0.8 nM, respectively, MCHR1 antagonist 2 inhibits both Ca2+ flow and hERG in IMR-32 cells [1].
References	[1]. Optimization of chromone-2-carboxamide melanin concentrating hormone receptor 1 antagonists: assessment of potency, efficacy, and cardiovascular safety. J Med Chem. 2006 Nov 2;49(22):6569-84.

Solubility Data

Solubility (In Vitro)

DMSO : ~10 mg/mL (~23.56 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 1 mg/mL (2.36 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 10.0 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 2: ≥ 1 mg/mL (2.36 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 10.0 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: ≥ 1 mg/mL (2.36 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 10.0 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	2.3562 mL	11.7808 mL	23.5616 mL
	5 mM	0.4712 mL	2.3562 mL	4.7123 mL
	10 mM	0.2356 mL	1.1781 mL	2.3562 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.