WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 530982
Description: BI-2545 is a highly potent, orally active and selective Autotaxin Inhibitor That Significantly Reduces LPA Levels in Vivo. BI-2545 inhibits ATX in the single-digit nanomolar region and translates into good potency in human whole blood. BI-2545 proved to be stable in human and moderately stable in rat liver microsomes. In vitro, BI-2545 showed high Caco-2 permeability and low efflux. BI-2545 shows an excellent PK/target engagement relationship. It is therefore considered a valuable tool for further in vivo studies.
MedKoo Cat#: 530982
Chemical Formula: C23H19F6N5O3
Exact Mass: 527.1392
Molecular Weight: 527.4274
Elemental Analysis: C, 52.38; H, 3.63; F, 21.61; N, 13.28; O, 9.10
Synonym: BI-2545; BI 2545; BI2545.
IUPAC/Chemical Name: 3,5-bis(trifluoromethyl)benzyl (1R,5S,6r)-6-((1H-benzo[d][1,2,3]triazole-5-carboxamido)methyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate
InChi Key: ZDOBSAPHUUUOHX-BJWYYQGGSA-N
InChi Code: 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-
SMILES Code: O=C(N1C[C@]2([H])[C@H](CNC(C3=CC=C(NN=N4)C4=C3)=O)[C@]2([H])C1)OCC5=CC(C(F)(F)F)=CC(C(F)(F)F)=C5
Patients with IPF have elevated levels of lysophosphatidic acid (LPA) in their bronchoalveolar lavage fluid (BALF) and exhaled breath condensate.7,8 LPAs are bioactive lysophospholipids that exert a variety of cellular responses including cell proliferation, cell motility and cell survival through their interaction with six Gprotein-coupled receptors (GPCRs) known as LPAR1
Discovery of BI-2545: A Novel Autotaxin Inhibitor That Significantly Reduces LPA Levels in Vivo
Christian A. Kuttruff, Marco Ferrara, Tom Bretschneider, Stefan Hoerer, Sandra Handschuh, Bernd Nosse, Helmut Romig, Paul Nicklin, and Gerald J. Roth Publication Date (Web): November 8, 2017 (Letter). DOI: 10.1021/acsmedchemlett.7b00312