Synonym
Lu-AA47070; Lu AA47070; LuAA47070;
IUPAC/Chemical Name
4-[(3,3-Dimethyl-1-oxobutyl)amino]-3,5-difluoro-N-[3-[(phosphonooxy)methyl]-2(3H)-thiazolylidene]benzamide
InChi Key
MSWIQSFUBYCFJE-LTGZKZEYSA-N
InChi Code
InChI=1S/C17H20F2N3O6PS/c1-17(2,3)8-13(23)20-14-11(18)6-10(7-12(14)19)15(24)21-16-22(4-5-30-16)9-28-29(25,26)27/h4-7H,8-9H2,1-3H3,(H,20,23)(H2,25,26,27)/b21-16+
SMILES Code
O=C(/N=C1SC=CN/1COP(O)(O)=O)C2=CC(F)=C(NC(CC(C)(C)C)=O)C(F)=C2
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
Soluble in DMSO
Shelf Life
>2 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
Preparing Stock Solutions
The following data is based on the
product
molecular weight
463.39
Batch specific molecular weights may vary
from batch to batch
due to the degree of hydration, which will
affect the solvent
volumes required to prepare stock solutions.
| Concentration / Solvent Volume / Mass |
1 mg |
5 mg |
10 mg |
| 1 mM |
1.15 mL |
5.76 mL |
11.51 mL |
| 5 mM |
0.23 mL |
1.15 mL |
2.3 mL |
| 10 mM |
0.12 mL |
0.58 mL |
1.15 mL |
| 50 mM |
0.02 mL |
0.12 mL |
0.23 mL |
1: Collins LE, Sager TN, Sams AG, Pennarola A, Port RG, Shahriari M, Salamone JD. The novel adenosine A2A antagonist Lu AA47070 reverses the motor and motivational effects produced by dopamine D2 receptor blockade. Pharmacol Biochem Behav. 2012 Jan;100(3):498-505. doi: 10.1016/j.pbb.2011.10.015. Epub 2011 Oct 20. PubMed PMID: 22037410.
2: Liltorp K, Larsen TG, Willumsen B, Holm R. Solid state compatibility studies with tablet excipients using non thermal methods. J Pharm Biomed Anal. 2011 Jun 1;55(3):424-8. doi: 10.1016/j.jpba.2011.02.016. Epub 2011 Feb 17. PubMed PMID: 21411259.
3: Sams AG, Mikkelsen GK, Larsen M, Langgård M, Howells ME, Schrøder TJ, Brennum LT, Torup L, Jørgensen EB, Bundgaard C, Kreilgård M, Bang-Andersen B. Discovery of phosphoric acid mono-{2-[(E/Z)-4-(3,3-dimethyl-butyrylamino)-3,5-difluoro-benzoylimino]-thiazol-3 -ylmethyl} ester (Lu AA47070): a phosphonooxymethylene prodrug of a potent and selective hA(2A) receptor antagonist. J Med Chem. 2011 Feb 10;54(3):751-64. Epub 2011 Jan 6. PubMed PMID: 21210664.
