JB002 is a myosin II inhibitor (antagonist) with IC50 ≤10 μM. JB002 can be used for research on muscle spasm, chronic musculoskeletal pain, and hypertrophic cardiomyopathy.

Physicochemical Properties

Molecular Formula	C18H15NO3
Molecular Weight	293.316604852676
Exact Mass	293.105
CAS #	30408-07-2
PubChem CID	136744641
Appearance	Light yellow to yellow solid powder
LogP	2.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	22
Complexity	489
Defined Atom Stereocenter Count	0
SMILES	O1C2=C(C=CC=C2)C(O)=C(/C(=N/CC2=CC=CC=C2)/C)C1=O
InChi Key	RLBBDEFOYCZVDK-UHFFFAOYSA-N
InChi Code	InChI=1S/C18H15NO3/c1-12(19-11-13-7-3-2-4-8-13)16-17(20)14-9-5-6-10-15(14)22-18(16)21/h2-10,20H,11H2,1H3
Chemical Name	3-(N-benzyl-C-methylcarbonimidoyl)-4-hydroxychromen-2-one
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 Note: This product requires protection from light (avoid light exposure) during transportation and storage.
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

Targets	IC50: ≤10 μM (myosin II)[1]
ln Vitro	JB002 has no discernible activity against non-muscle IIB, however it shows good selectivity between cardiac and skeletal myosins [1].
References	[1]. Isoform selectivities of novel 4-hydroxycoumarin imines as inhibitors of myosin II. Eur J Med Chem. 2022 Dec 12;247:115008.

Solubility Data

Solubility (In Vitro)

DMSO : 31.25 mg/mL (106.54 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.08 mg/mL (7.09 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	3.4092 mL	17.0462 mL	34.0925 mL
	5 mM	0.6818 mL	3.4092 mL	6.8185 mL
	10 mM	0.3409 mL	1.7046 mL	3.4092 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.