Adenosine receptor antagonist 2

• CAT Number: I044067
• CAS Number: 2703054-47-9
• Molecular Formula: C23H21FN8O
• Molecular Weight: 444.46
• Purity: ≥95%
• Synonyms: 3-[4-amino-5-fluoro-6-[1-[[6-(2-hydroxypropan-2-yl)pyridin-2-yl]methyl]triazol-4-yl]pyrimidin-2-yl]-2-methylbenzonitrile
• InChI: InChI=1S/C23H21FN8O/c1-13-14(10-25)6-4-8-16(13)22-28-20(19(24)21(26)29-22)17-12-32(31-30-17)11-15-7-5-9-18(27-15)23(2,3)33/h4-9,12,33H,11H2,1-3H3,(H2,26,28,29)
• InChIKey: SCLXIATZMRENPN-UHFFFAOYSA-N
• SMILES: CC1=C(C=CC=C1C2=NC(=C(C(=N2)N)F)C3=CN(N=N3)CC4=NC(=CC=C4)C(C)(C)O)C#N

Adenosine receptor antagonist 2 is an orally active A2a/A2b adenosine receptor antagonist with IC50s of 1 nM and 3 nM, respectively. Adenosine receptor antagonist 2 has anti-tumor activity[1].
Adenosine receptor antagonist 2 (compound L-1; po; 10, 30, 100 mg/kg; twice a day for 22 days) inhibits tumor growth in female C57BL / 6mice mice with MC38(#22)-hpd-L1 cells[1].
Adenosine receptor antagonist 2 (iv; 2 mg/kg) has a CLz of 14.7 mL/min·kg and an AUC of 2252 h·ng/mL. Adenosine receptor antagonist 2 (po; 10 mg/kg) has a Cmax of 8730 ng/mL in adult male ICR mice (weight 25-40g)[1].

Reference

[1]. Lifeng Liu, et al. Substituted pyrimidine or Pyridylamine derivatives, their compositions and pharmaceutical uses. WO2021185256A1.