Coixol (6-Methoxy-2-benzoxazolinone; 6-MBOA) is a polyphenol found in Coix seed and has antibacterial and anti-tumor effects.

Physicochemical Properties

Molecular Formula	C8H7NO3
Molecular Weight	165.15
Exact Mass	165.042
CAS #	532-91-2
PubChem CID	10772
Appearance	Light brown to brown solid powder
Density	1.3±0.1 g/cm3
Boiling Point	292.97°C (rough estimate)
Melting Point	151-156ºC(lit.)
Index of Refraction	1.563
LogP	1.07
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	12
Complexity	195
Defined Atom Stereocenter Count	0
SMILES	O1C(N([H])C2C([H])=C([H])C(=C([H])C1=2)OC([H])([H])[H])=O
InChi Key	MKMCJLMBVKHUMS-UHFFFAOYSA-N
InChi Code	InChI=1S/C8H7NO3/c1-11-5-2-3-6-7(4-5)12-8(10)9-6/h2-4H,1H3,(H,9,10)
Chemical Name	6-methoxy-3H-1,3-benzoxazol-2-one
Synonyms	6-Methoxy-2-benzoxazolinone; 6-METHOXYBENZO[D]OXAZOL-2(3H)-ONE; MBOA; 6-Methoxybenzoxazolinone; 6-MBOA
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

References

[1]. Coixol Suppresses NF-κB, MAPK Pathways and NLRP3 Inflammasome Activation in Lipopolysaccharide-Induced RAW 264.7 Cells. Molecules

Additional Infomation

6-methoxy-2-benzoxazolinone is a 2-benzoxazolinone that is substituted by a methoxy group at position 6. It has a role as a plant metabolite, a muscle relaxant, an anticonvulsant, an antibacterial agent and an antifungal agent. It is a benzoxazole and an aromatic ether. It is functionally related to a 2-benzoxazolinone. Coixol has been reported in Zea mays, Hordeum vulgare, and other organisms with data available.

Solubility Data

Solubility (In Vitro)

DMSO : ~100 mg/mL (~605.51 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (15.14 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 (15.14 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.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	6.0551 mL	30.2755 mL	60.5510 mL
	5 mM	1.2110 mL	6.0551 mL	12.1102 mL
	10 mM	0.6055 mL	3.0276 mL	6.0551 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.