BI-2545

• CAT Number: I017408
• CAS Number: 2162961-71-7
• Molecular Formula: C23H19F6N5O3
• Molecular Weight: 527.42
• Purity: ≥95%
• Synonyms: [3,5-bis(trifluoromethyl)phenyl]methyl (1R,5S)-6-[(2H-benzotriazole-5-carbonylamino)methyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate
• InChI: InChI=1S/C23H19F6N5O3/c24-22(25,26)13-3-11(4-14(6-13)23(27,28)29)10-37-21(36)34-8-16-15(17(16)9-34)7-30-20(35)12-1-2-18-19(5-12)32-33-31-18/h1-6,15-17H,7-10H2,(H,30,35)(H,31,32,33)/t15?,16-,17+
• InChIKey: ZDOBSAPHUUUOHX-ALOPSCKCSA-N
• SMILES: C1C2C(C2CNC(=O)C3=CC4=NNN=C4C=C3)CN1C(=O)OCC5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F

BI-2545 is a potent autotaxin (ATX) inhibitor that significantly reduces LPA, with IC50s of 2.2 nM and 3.4 nM for human ATX and rat ATX, respectively[1].
BI-2545 displays good potency in the LPA and rat whole blood assay with IC50s of 29 nM and 96 nM, respectively[1].
BI-2545 (10 mg/kg; p.o.) has high and sustained in vivo efficacy in reducing LPAs[1].
BI-2545 (10 mg/kg; p.o.) has a half-life of t1/2=3.4 hours[1].

Reference

[1]. Kuttruff, C. A., et al. Discovery of BI-2545: A Novel Autotaxin Inhibitor That Significantly Reduces LPA Levels in Vivo. ACS Medicinal Chemistry Letters, 8(12), 1252–1257.