PDE10A-IN-2 hydrochloride

• CAT Number: I045426
• Molecular Formula: C33H38Cl3N5O
• Molecular Weight: 627.05
• Purity: ≥95%
• Synonyms: 8-[(E)-2-[5-methyl-1-[3-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]benzimidazol-2-yl]ethenyl]quinoline;trihydrochloride
• InChI: InChI=1S/C33H35N5O.3ClH/c1-25-12-14-31-30(23-25)35-32(15-13-27-8-3-7-26-9-5-16-34-33(26)27)38(31)28-10-4-11-29(24-28)39-22-6-17-37-20-18-36(2)19-21-37;;;/h3-5,7-16,23-24H,6,17-22H2,1-2H3;3*1H/b15-13+
• InChIKey: NBTVSKHCPZVYQO-UWAJBHSPSA-N
• SMILES: CC1=CC2=C(C=C1)N(C(=N2)C=CC3=CC=CC4=C3N=CC=C4)C5=CC(=CC=C5)OCCCN6CCN(CC6)C.Cl.Cl.Cl

PDE10A-IN-2 hydrochloride is a potent, highly selective and orally active phosphodiesterase 10A (PDE10A) inhibitor with an IC50 of 2.8 nM. PDE10A-IN-2 hydrochloride shows selectivity of >3500-fold against other PDE subtypes. PDE10A-IN-2 hydrochloride can be used for pulmonary arterial hypertension (PAH) research[1].
PDE10A-IN-2 hydrochloride (compound 14 3HCL; 2.5 mg/kg; oral administration; daily; for 3 weeks) treatment decreases the typical symptoms of PAH in rats[1].
In Sprague-Dawley rats, the pharmacokinetic study of PDE10A-IN-2 hydrochloride (compound 14 3HCL; 10 mg/kg) shows the oral bioavailability up to ∼50%, and the T1/2 is 5.2 hours (p.o.), and the Cmax is 272 ng/mL[1].

Reference

[1]. Yuncong Yang, et al. Discovery of highly selective and orally available benzimidazole-based phosphodiesterase 10 inhibitors with improved solubility and pharmacokinetic properties for treatment of pulmonary arterial hypertension. Acta Pharm Sin B. 2020 De
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