LOXO-195 CAS 2097002-61-2

Introduction：Basic information about LOXO-195 CAS 2097002-61-2, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

LOXO-195 Basic information

• Product Name: LOXO-195
• Synonyms: (3aR,10R)-5-Fluoro-1,2,3,3a,8,9,10,11-octahydro-10-methyl-12H-15,17-ethenopyrazolo[3,4-d]pyrido[2,3-k]pyrrolo[2,1-m][1,3,7]triazacyclotridecin-12-one;selitrectinib（LOXO-195）;CS-2800;LOXO-195;LOXO195;Selitrectinib;LOXO 195(Selitrectinib);Selitrectinib (Synonyms: LOXO-195);12H-15,17-Ethenopyrazolo[3,4-d]pyrido[2,3-k]pyrrolo[2,1-m][1,3,7]triazacyclotridecin-12-one, 5-fluoro-1,2,3,3a,8,9,10,11-octahydro-10-methyl-, (3aR,10R)-
• CAS: 2097002-61-2
• MF: C20H21FN6O
• MW: 380.42
• Mol File: 2097002-61-2.mol

LOXO-195 Chemical Properties

• density: 1.51±0.1 g/cm3(Predicted)
• storage temp.: Store at -20°C
• solubility: DMSO:62.5(Max Conc. mg/mL);164.29(Max Conc. mM)
• form: A crystalline solid
• pka: 11.44±0.40(Predicted)
• color: White to yellow
• InChI: InChI=1S/C20H21FN6O/c1-12-4-5-16-14(9-13(21)10-22-16)17-3-2-7-26(17)18-6-8-27-19(25-18)15(11-23-27)20(28)24-12/h6,8-12,17H,2-5,7H2,1H3,(H,24,28)/t12-,17-/m1/s1
• InChIKey: OEBIHOVSAMBXIB-SJKOYZFVSA-N
• SMILES: N12CCC[C@]1([H])C1=CC(F)=CN=C1CC[C@@H](C)NC(=O)C1C=NN3C=CC2=NC=13

Safety Information

• HS Code: 2933998090

LOXO-195 Usage And Synthesis

Uses

LOXO-195 (Selitrectinib) is a second-generation TRK kinase inhibitor that targets TRK fusion-positive tumors and is used to treat tumor patients who are resistant to first-generation TRK inhibitors.

in vivo

Stably transfected NIH-3T3 ΔTRKA and ΔTRKA-G595R cells are implanted subcutaneously into the flanks of nude mice. Both larotrectinib and Selitrectinib (LOXO-195) are effective at reducing phosphorylated TRKA in tumors driven by ΔTRKA. In contrast, only Selitrectinib (LOXO-195) strongly suppresses phospho-TRKA in ΔTRKA-G595R cells in a dose-dependent manner. Selitrectinib (LOXO-195) also causes inhibition of tumor growth relative to vehicle at all doses in four TRKA-dependent tumor models (ΔTRKA, ΔTRKA-G595R, ΔTRKAG667C, and TPM3-NTRK1 fusion-positive KM12 colorectal cancer cells. Larotrectinib inhibits KM12 and NIH 3T3-ΔTRKA tumors to a similar degree. Group mean body weight loss does not exceed 5% for any agent. Selitrectinib (LOXO-195) displays high selectivity for the TRK proteins^[1]

IC 50

TrkA: 0.6 nM (IC₅₀); TrkC: <2.5 nM (IC₅₀)