Lu AA41063 explained

Class:Adenosine A2A receptor antagonist
Cas Number:851202-49-8
Pubchem:16122818
Chemspiderid:17279728
Chembl:1671936
Iupac Name:4-(3,3-dimethylbutanoylamino)-3,5-difluoro-N-(1,3-thiazol-2-yl)benzamide
C:16
H:17
F:2
N:3
O:2
S:1
Smiles:CC(C)(C)CC(=O)NC1=C(C=C(C=C1F)C(=O)NC2=NC=CS2)F
Stdinchi:1S/C16H17F2N3O2S/c1-16(2,3)8-12(22)20-13-10(17)6-9(7-11(13)18)14(23)21-15-19-4-5-24-15/h4-7H,8H2,1-3H3,(H,20,22)(H,19,21,23)
Stdinchikey:KEUJAGGJGBWRFC-UHFFFAOYSA-N

Lu AA41063 is a selective adenosine A2A receptor antagonist.[1] [2] [3] [4] [5] Structurally, it is a non-xanthine.

The affinities (Ki) of the drug for the human adenosine receptors are 5.9nM for the adenosine A2A receptor, 410nM for the adenosine A1 receptor (69-fold lower than for the A2A receptor), 260nM for the adenosine A2B receptor (44-fold lower than for the A2A receptor), and >10,000nM for the adenosine A3 receptor (>1,695-fold lower than for the A2A receptor).

Lu AA41063 was first described in the scientific literature by 2014.

Lu AA47070, a water-soluble phosphate ester prodrug of Lu AA41063, is orally active and was under development for the treatment of Parkinson's disease but was discontinued.[6] [7]

Notes and References

  1. Yuan G, Jones GB . Towards next generation adenosine A(2A) receptor antagonists . Curr Med Chem . 21 . 34 . 3918–3935 . 2014 . 25174927 . 10.2174/0929867321666140826115123 .
  2. Book: Müller, Christa E. . The Adenosinergic System . Adenosine A2A Receptor Antagonists in Drug Development . Current Topics in Neurotoxicity . Springer International Publishing . Cham . 10 . 2015 . 978-3-319-20272-3 . 10.1007/978-3-319-20273-0_3 . 39–56.
  3. Al-Attraqchi OH, Attimarad M, Venugopala KN, Nair A, Al-Attraqchi NH . Adenosine A2A Receptor as a Potential Drug Target - Current Status and Future Perspectives . Curr Pharm Des . 25 . 25 . 2716–2740 . 2019 . 31333093 . 10.2174/1381612825666190716113444 .
  4. Zheng J, Zhang X, Zhen X . Development of Adenosine A2A Receptor Antagonists for the Treatment of Parkinson's Disease: A Recent Update and Challenge . ACS Chem Neurosci . 10 . 2 . 783–791 . February 2019 . 30199223 . 10.1021/acschemneuro.8b00313 .
  5. Mikkelsen GK, Langgård M, Schrøder TJ, Kreilgaard M, Jørgensen EB, Brandt G, Griffon Y, Boffey R, Bang-Andersen B . Synthesis and SAR studies of analogues of 4-(3,3-dimethyl-butyrylamino)-3,5-difluoro-N-thiazol-2-yl-benzamide (Lu AA41063) as adenosine A2A receptor ligands with improved aqueous solubility . Bioorg Med Chem Lett . 25 . 6 . 1212–1216 . March 2015 . 25701253 . 10.1016/j.bmcl.2015.01.062 .
  6. IJzerman AP, Jacobson KA, Müller CE, Cronstein BN, Cunha RA . International Union of Basic and Clinical Pharmacology. CXII: Adenosine Receptors: A Further Update . Pharmacological Reviews . 74 . 2 . 340–372 . April 2022 . 35302044 . 8973513 . 10.1124/pharmrev.121.000445 .
  7. 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 . 6 . Discovery of phosphoric acid mono- ester (Lu AA47070): a phosphonooxymethylene prodrug of a potent and selective hA(2A) receptor antagonist | journal = Journal of Medicinal Chemistry | volume = 54 | issue = 3 | pages = 751–764 | date = February 2011 | pmid = 21210664 | doi = 10.1021/jm1008659 }.

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