[CAS NO. 1426833-08-0] PDE2/PDE10-IN-1
PRODUCTS SPECIFICATIONS [1426833-08-0]
DESCRIPTION [1426833-08-0]
Overview
| MDL | - |
|---|---|
| Molecular Weight | 295.73 |
| Molecular Formula | C15H10ClN5 |
| SMILES | CC1=NC2=C(C=NC=C2)N3C1=NN=C3C4=CC=CC=C4Cl |
Summary
PDE2/PDE10-IN-1 is a phosphodiesterase 2 ( PDE2 ) and PDE10 inhibitor with IC 50 s of 29 and 480 nM, respectively.
IC50 & Target
|
hPDE2A 29 nM (IC 50 ) |
rPDE10A 480 nM (IC 50 ) |
hPDE4D 5890 nM (IC 50 ) |
hPDE11A 6920 nM (IC 50 ) |
In Vitro
PDE2/PDE10-IN-1 (Compound 6) inhibits PDE2 and PDE10, respectively, with an IC 50 value of 29 and 480 nM. PDE2/PDE10-IN-1 also inhibits PDE11A and PDE4D with IC 50 s of 6920 nM and 5890 nM, respectively. In addition PDE2/PDE10-IN-1 does not show significant inhibition of a panel of CYP450 enzymes (CYP1A2, 2C9, 2D6, 2C19, and 3A4). PDE2/PDE10-IN-1 is also inactive up to a concentration of 125 μg/mL in a bacterial mutagenicity assay [1] .
MCE has not independently confirmed the accuracy of these methods. They are for reference only.
In Vivo
The PK properties of PDE2/PDE10-IN-1 are studied in rats after 2.5 mg/kg i.v. and 10 mg/kg p.o. administration. After i.v. administration, a rapid clearance is observed (t 1/2 =0.47 h), which is not expected based on the in vitro metabolic stability in rat liver microsomes (rLMs). Interestingly, PDE2/PDE10-IN-1 shows much slower clearance after p.o. administration (t 1/2 =2.36 h), resulting in good bioavailability and a maximum plasma concentration (C max ) of 997 ng/mL. PDE2/PDE10-IN-1 is assessed for its potential to cross the blood–brain barrier in rats after 10 mg/kg s.c. administration. PDE2/PDE10-IN-1 shows good formulatability with 10 to 20% HPβCD at pH>3.5. The brain concentration for PDE2/PDE10-IN-1 after 1 h administration is in the range of 370-895 ng/g with high brain free fractions and brain/plasma ratios. More specifically, PDE2/PDE10-IN-1, which is orally bioavailable, occupies PDE2 with an ED 50 of 21 mg/kg [1] .
MCE has not independently confirmed the accuracy of these methods. They are for reference only.
Appearance
Solid
Shipping
Room temperature in continental US; may vary elsewhere.
Storage
| Powder | -20°C | 3 years |
|---|---|---|
| 4°C | 2 years | |
| In solvent | -80°C | 6 months |
| -20°C | 1 month |
Solvent & Solubility
DMSO : 12.5 mg/mL ( 42.27 mM ; ultrasonic and warming and heat to 60°C)
Stock Solutions
| Concentration Solvent Mass | 1 mg | 5 mg | 10 mg |
|---|
| 1 mM | 3.3815 mL | 16.9073 mL | 33.8146 mL |
| 5 mM | 0.6763 mL | 3.3815 mL | 6.7629 mL |
| 10 mM | 0.3381 mL | 1.6907 mL | 3.3815 mL |