SML2255

BI-2545

≥98% (HPLC)

• Synonym(e): (1R,5S,6S)-3,5-bis(Trifluoromethyl)benzyl 6-((1H-benzo[d][1,2,3]triazole-5-carboxamido)methyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate, [3,5-bis(Trifluoromethyl)phenyl]methyl (1R,5S,6S)-6-{[(1H-1,2,3-benzotriazol-5-yl)formamido]methyl}-3-azabicyclo[3.1.0]hexane-3-carboxylate
• Empirische Formel (Hill-System): C₂₃H₁₉F₆N₅O₃
• CAS-Nummer: 2162961-71-7
• Molekulargewicht: 527.42
• UNSPSC-Code: 12352200

Eigenschaften

• Assay: ≥98% (HPLC)
• Form: powder
• Farbe: white to beige
• Löslichkeit: DMSO: 2 mg/mL, clear
• Lagertemp.: 2-8°C
• SMILES String: 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

Beschreibung

Biochem./physiol. Wirkung

BI-2545 is a PF-8380 structure analog with improved autotaxin (ATX; ENPP2) inhibitory potency (human/rat ATX IC50 = 2.2/3.4 nM, IC50 = 29/96 nM using human/rat whole blood (WB); human ATX/rat ATX/rat WB IC50 = 6.5/13/307 nM with PF-8380), in vivo pharmacokinetic profile, oral availability, and lysophosphatidic acid (LPA)-lowering efficacy (BI-2545 Cmax/AUC/T1/2/Max 18:2 LPA reduction = 140 nM/675 nM•h/3.4 h/90.4% post 10 mg/kg p.o. in rats vs. 60.3 nM/342 nM•h/2.5 h/32.2% with PF-8380). BI-2545 exhibits no hERG inhibitory activity (IC50 >10 μM vs. 480 nM with PF-8380) and displays significant cross-reactivity towards only 4 targets among a panel of 48 enzymes/receptors/transporters/channel proteins at a high concentration of 10 μM (55%, 80%, 66%, 61% inhibtion of 5-HT2a, L-type Calcium channel, Na+ channel site 2, and norepinephrine transporter, respectively).

Sicherheitshinweise

• Lagerklassenschlüssel: 11 - Combustible Solids
• WGK: WGK 3
• Flammpunkt (°F): Not applicable
• Flammpunkt (°C): Not applicable