WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 556046
Description: Lu AF27139 is a novel rodent-active and CNS-penetrant P2X7 receptor antagonist. Lu AF27139 is highly selective and potent against rat, mouse, and human forms of the receptors. The rat pharmacokinetic profile is favorable with high oral bioavailability, modest clearance (0.79 L/(h kg)), and good CNS permeability. Importantly, Lu AF27139 was without effect in standard in vitro and in vivo toxicity studies. Lu AF27139 is a valuable tool for probing the role of the P2X7 receptor in rodent models of CNS diseases.
MedKoo Cat#: 556046
Name: Lu AF27139
Chemical Formula: C21H19ClF3N5O2S
Exact Mass: 497.09
Molecular Weight: 497.9212
Elemental Analysis: C, 50.66; H, 3.85; Cl, 7.12; F, 11.45; N, 14.07; O, 6.43; S, 6.44
Synonym: Lu AF27139; Lu AF-27139; Lu AF 27139; LuAF27139; LuAF-27139; LuAF 27139;
IUPAC/Chemical Name: (S)-N-(2-(4-chlorophenyl)-2-morpholinoethyl)-2-(pyrimidin-2-yl)-4-(trifluoromethyl)thiazole-5-carboxamide
InChi Key: FGPQIEDRTXLBES-OAHLLOKOSA-N
InChi Code: InChI=1S/C21H19ClF3N5O2S/c22-14-4-2-13(3-5-14)15(30-8-10-32-11-9-30)12-28-19(31)16-17(21(23,24)25)29-20(33-16)18-26-6-1-7-27-18/h1-7,15H,8-12H2,(H,28,31)/t15-/m1/s1
SMILES Code: ClC1=CC=C([C@H](N2CCOCC2)CN([H])C(C3=C(C(F)(F)F)N=C(C4=NC=CC=N4)S3)=O)C=C1
Appearance: Solid powder
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: To be determined
Shelf Life: >2 years if stored properly
Drug Formulation: To be determined
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
The following data is based on the product molecular weight 497.9212 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|
Hopper AT, Juhl M, Hornberg J, Badolo L, Kilburn JP, Thougaard A, Smagin G, Song D, Calice L, Menon V, Dale E, Zhang H, Cajina M, Nattini ME, Gandhi A, Grenon M, Jones K, Khayrullina T, Chandrasena G, Thomsen C, Zorn SH, Brodbeck R, Poda SB, Staal R, Möller T. Synthesis and Characterization of the Novel Rodent-Active and CNS-Penetrant P2X7 Receptor Antagonist Lu AF27139. J Med Chem. 2021 Apr 22;64(8):4891-4902. doi: 10.1021/acs.jmedchem.0c02249. Epub 2021 Apr 6. PMID: 33822617.