(Rac)-Tavapadon ((Rac)-PF-06649751) is a specific, non-catecholic dopamine D1 receptor agonist. (Rac)-Tavapadon showed potent full agonism in the GS activation assay and partial agonism in the β-arrestin2 recruitment assay (GS-cAMP, EC50=0.8 nM; β-arrestin2, EC50=68 nM). (Rac)-Tavapadon displays antiparkinsonian activity.

Physicochemical Properties

Molecular Formula	C19H16F3N3O3
Molecular Weight	391.343854904175
Exact Mass	391.114
CAS #	1643462-64-9
Related CAS #	Tavapadon;1643489-24-0
PubChem CID	86764100
Appearance	White to off-white solid powder
LogP	3.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	3
Heavy Atom Count	28
Complexity	665
Defined Atom Stereocenter Count	0
SMILES	C1(=O)N(C)C(C2=CC=C(OC3=NC=CC=C3C(F)(F)F)C=C2C)=C(C)C(=O)N1
InChi Key	AKQXQLUNFKDZBN-UHFFFAOYSA-N
InChi Code	InChI=1S/C19H16F3N3O3/c1-10-9-12(28-17-14(19(20,21)22)5-4-8-23-17)6-7-13(10)15-11(2)16(26)24-18(27)25(15)3/h4-9H,1-3H3,(H,24,26,27)
Chemical Name	1,5-dimethyl-6-[2-methyl-4-[3-(trifluoromethyl)pyridin-2-yl]oxyphenyl]pyrimidine-2,4-dione
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

Targets	D1 Receptor
ln Vitro	Compound 32; (Rac)-Tavapadon ((Rac)-PF-06649751) has EMAXs in the β-arrestin2 recruitment assay and the GS activation assay of 118% and 30%, respectively[1].
References	[1]. Designing Functionally Selective Noncatechol Dopamine D 1 Receptor Agonists with Potent In Vivo Antiparkinsonian Activity. ACS Chem Neurosci. 2019 Sep 18;10(9):4160-4182.
Additional Infomation	Tavapadon is under investigation in clinical trial NCT02262767 (A Study to Investigate the Safety, Tolerability, and Pharmacokinetics of PF-06649751 Co-administered With Trimethobenzamide Hydrochloride in Healthy Subjects). Drug Indication Treatment of Parkinson's disease

Solubility Data

Solubility (In Vitro)

DMSO: 41.67 mg/mL (106.48 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 4.17 mg/mL (10.66 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 41.7 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	2.5553 mL	12.7766 mL	25.5532 mL
	5 mM	0.5111 mL	2.5553 mL	5.1106 mL
	10 mM	0.2555 mL	1.2777 mL	2.5553 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.