3-O-Methyldopa (3-Methoxy-L-tyrosine) is an L-DOPA metabolite formed by catechol-O-methyltransferase (COMT). 3-O-Methyldopa competitively inhibits the pharmacodynamics of L-DOPA and dopamine.

Physicochemical Properties

Molecular Formula	C10H13NO4
Molecular Weight	211.21
Exact Mass	211.084
CAS #	300-48-1
Related CAS #	3-O-Methyl-DL-DOPA;7636-26-2;3-O-Methyldopa-d3;586954-09-8;3-O-Methyldopa-d3 hydrate
PubChem CID	9307
Appearance	Off-white to light yellow solid powder
Density	1.321g/cm3
Boiling Point	407.3ºC at 760mmHg
Flash Point	200.1ºC
Index of Refraction	1.591
LogP	1.055
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Heavy Atom Count	15
Complexity	222
Defined Atom Stereocenter Count	1
SMILES	COC1=C(C=CC(=C1)C[C@@H](C(=O)O)N)O
InChi Key	PFDUUKDQEHURQC-ZETCQYMHSA-N
InChi Code	InChI=1S/C10H13NO4/c1-15-9-5-6(2-3-8(9)12)4-7(11)10(13)14/h2-3,5,7,12H,4,11H2,1H3,(H,13,14)/t7-/m0/s1
Chemical Name	(2S)-2-amino-3-(4-hydroxy-3-methoxyphenyl)propanoic acid
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]. 3-O-Methyldopa inhibits astrocyte-mediated dopaminergic neuroprotective effects of L-DOPA. BMC Neurosci. 2016 Jul 25;17(1):52.
Additional Infomation	3-O-methyldopa is a L-tyrosine derivative that is the 3-methoxy derivative of L-dopa. It has a role as a human metabolite. It is a L-tyrosine derivative, a monomethoxybenzene and a non-proteinogenic L-alpha-amino acid. It is functionally related to a L-dopa. It is a tautomer of a 3-O-methyldopa zwitterion.

Solubility Data

Solubility (In Vitro)	H2O: 16.67 mg/mL (78.93 mM)
Solubility (In Vivo)	Solubility in Formulation 1: 10 mg/mL (47.35 mM) in PBS (add these co-solvents sequentially from left to right, and one by one), clear solution; with sonication.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	4.7346 mL	23.6731 mL	47.3462 mL
	5 mM	0.9469 mL	4.7346 mL	9.4692 mL
	10 mM	0.4735 mL	2.3673 mL	4.7346 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.