Sigma-1 receptor antagonist 3

• CAT Number: I017956
• CAS Number: 1639220-17-9
• Molecular Formula: C19H23ClFN3O
• Molecular Weight: 363.86
• Purity: ≥95%
• Synonyms: 5-chloro-2-(4-fluorophenyl)-4-methyl-6-(3-piperidin-1-ylpropoxy)pyrimidine
• InChI: InChI=1S/C19H23ClFN3O/c1-14-17(20)19(25-13-5-12-24-10-3-2-4-11-24)23-18(22-14)15-6-8-16(21)9-7-15/h6-9H,2-5,10-13H2,1H3
• InChIKey: OAIHSWLLDNASTO-UHFFFAOYSA-N
• SMILES: CC1=C(C(=NC(=N1)C2=CC=C(C=C2)F)OCCCN3CCCCC3)Cl

Sigma-1 receptor antagonist 3 (compound135) is a potent and selective Sigma-1 (σ1) receptor antagonist with a Ki of 1.14 nM. Sigma-1 receptor antagonist 3 inhibits Human Ether-a-go-go-Related Gene (hERG) with an IC50 of 1.54 μM. Sigma-1 receptor antagonist 3 has the potential for the neuropathic pain[1].

Reference

[1]. Lan Y, et al. Synthesis and biological evaluation of novel sigma-1 receptor antagonists based on pyrimidine scaffold as agents for treating neuropathic pain. J Med Chem. 2014 Dec 26;57(24):10404-23.
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