PDE5-IN-13
PDE5-IN-13 (Compound 14b) inhibits phosphodiesterase 5 (PDE5A) with an IC50 of 3 nM. PDE5-IN-13 is a potential candidate for PAH (pulmonary arterial hypertension) research. PDE5-IN-13 has high selectivity for targets over PDE1, PDE2, PDE3, PDE4, PDE7, PDE8, PDE9, PDE10, and PDE11. PDE5-IN-13 is orally active.
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- 화학식: C31H26N4O2
- 분자량:486.56
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보관:
Please store the product under the recommended conditions in the Certificate of Analysis.
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Biological Activity
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Chemical Information
- 순도&문서
- References
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Help & FAQs
Biological Activity
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PDE5A 3 nM (IC50) |
PDE1C 10478 nM (IC50) |
PDE2A 3378 nM (IC50) |
PDE3A >100000 nM (IC50) |
PDE4D2 53294 nM (IC50) |
PDE6C 20 nM (IC50) |
PDE7A 25746 nM (IC50) |
PDE8A1 >100000 nM (IC50) |
PDE9A2 >100000 nM (IC50) |
PDE10A2 21160 nM (IC50) |
PDE11A >100000 nM (IC50) |
The C3-cyanide group of PDE5-IN-13 forms hydrogen bond bridges with D764 and H613 through water molecules, which stabilizes the binding conformation of PDE5-IN-13[1].
The [1-(pyridin-2-yl)ethyl] amino side chain at C8-position of PDE5-IN-13 is located near the solvent-exposed region, and the hydrophilic pyridine ring can interact with the solvent region, enhancing inhibitory affinity of PDE5-IN-13[1].
PDE5-IN-13 inhibitor displays weak inhibition against the CYP1A2, CYP2D6, and CYP3A4 with IC50s above 50 μM, and for CYP2C19 and CYP2C9 is 4.63 and 9.76 μM, respectively[1].
PDE5-IN-13 exhibits much weaker inhibitory activity toward hERG channel with an IC50 above 30 μM[1].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
PDE5-IN-13 (5.0 mg/kg, p.o., daily, 21 days) shows a remarkable increase in mPAP (pulmonary arterial pressure) and decrease in RVHI (right ventricular hypertrophy index) than Sildenafil citrate (HY-15025A) (10.0 mg/kg) in a Monocrotaline (HY-N0750)-induced PAH rat model[1].
In Vivo Pharmacokinetic Properties of PDE-IN-5
| PK Parameters | i.v. Administration (2 mg/kg) | p.o. Administration (10 mg/kg) |
| aAUC(0-t) (ng/mL・h) | 398.9 | 338.8 |
| AUC(0−∞) (ng/mL・h) | 399.0 | 340.5 |
| AUC(0−t) (h) | 0.75 | 6.3 |
| AUC(0−∞) (h) | 0.76 | 6.4 |
| t1/2 (h) | 2.25 | 2.79 |
| Tmax (h) | 0.083 | 4.0 |
| CL (L/h/kg) | 5.0 | 31.5 |
| Vz (L/kg) | 16.3 | 126.6 |
| Cmax (ng/mL) | 985.2 | 58.4 |
| F (%) | 16.8 |
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
Chemical Information
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분자량 486.56
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화학식 C31H26N4O2
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SMILES
C[C@@H](NC1=CC=CC(C(C2=CC=C(OC)C=C2)=C3C#N)=C1N(CC4=CC=CC=C4)C3=O)C5=CC=CC=N5
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선적
Room temperature in continental US; may vary elsewhere.
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보관
Please store the product under the recommended conditions in the Certificate of Analysis.
순도&문서
References
Calculators
Concentration (start) × Volume (start) = Concentration (final) × Volume (final)
PDE5-IN-13 Related Classifications
HY-170435 Related Classifications
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