ChemSpider 2D Image | Mirodenafil | C26H37N5O5S

Mirodenafil

  • Molecular FormulaC26H37N5O5S
  • Average mass531.667 Da
  • Monoisotopic mass531.251526 Da
  • ChemSpider ID10173481

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

4H-Pyrrolo[3,2-d]pyrimidin-4-one, 5-ethyl-1,5-dihydro-2-[5-[[4-(2-hydroxyethyl)-1-piperazinyl]sulfonyl]-2-propoxyphenyl]-7-propyl- [ACD/Index Name]
504G362H0H
5-Ethyl-2-(5-{[4-(2-hydroxyethyl)-1-piperazinyl]sulfonyl}-2-propoxyphenyl)-7-propyl-1,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-on [German] [ACD/IUPAC Name]
5-Ethyl-2-(5-{[4-(2-hydroxyethyl)-1-piperazinyl]sulfonyl}-2-propoxyphenyl)-7-propyl-1,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one [ACD/IUPAC Name]
5-Éthyl-2-(5-{[4-(2-hydroxyéthyl)-1-pipérazinyl]sulfonyl}-2-propoxyphényl)-7-propyl-1,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one [French] [ACD/IUPAC Name]
5-ethyl-2-(5-{[4-(2-hydroxyethyl)piperazin-1-yl]sulfonyl}-2-propoxyphenyl)-7-propyl-3H,4H,5H-pyrrolo[3,2-d]pyrimidin-4-one
862189-95-5 [RN]
Mirodenafil [Wiki]
UNII-504G362H0H
172923-77-2 [RN]
More...

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

8776 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Chemical Class:

      A member of the class of pyrrolopyrimidines that is 3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one having a 5-{[4-(2-hydroxyethyl)piperazin-1-yl]sulfonyl}-2-propoxyphenyl group at positon 2, ethyl group at position 5, and a propyl group at position 7. It is a phosphodiesterase type 5 inhibitor which is used for the treatment of erectile dysfunction. ChEBI CHEBI:136049

    • Bio Activity:

      Metabolic Enzyme/Protease; MedChem Express HY-14930
      Mirodenafil(SK3530) is a phosphodiesterase type 5 (PDE-5) inhibitor developed for the treatment of erectile dysfunction. MedChem Express
      Mirodenafil(SK3530) is a phosphodiesterase type 5 (PDE-5) inhibitor developed for the treatment of erectile dysfunction.; Target: PDE5; Mirodenafil is a newly developed oral phosphodiesterase type 5 inhibitor. MedChem Express HY-14930
      Mirodenafil(SK3530) is a phosphodiesterase type 5 (PDE-5) inhibitor developed for the treatment of erectile dysfunction.;Target: PDE5Mirodenafil is a newly developed oral phosphodiesterase type 5 inhibitor. Mirodenafil, in doses of 50 or 100 mg, significantly improved erectile function and were well tolerated in a representative population of Korean men with broad-spectrum ED of various etiologies and severities [1]. The concurrent administration of mirodenafil with alcohol was not associated with clinically significant hemodynamic changes in these healthy male volunteers in Korea. The pharmacoki-netics of mirodenafil were not significantly altered by this concurrent administration. Mirodenafil administered with alcohol had a tolerability profile comparable to that of mirodenafil alone [2]. In these healthy Korean male volunteers, the coadministration of ketoconazole and rifampicin resulted in significant changes in systemic exposure to mirodenafil [3]. MedChem Express HY-14930
      Others MedChem Express HY-14930
      PDE MedChem Express HY-14930

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 730.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.9±3.0 kJ/mol
Flash Point: 395.6±35.7 °C
Index of Refraction: 1.637
Molar Refractivity: 142.4±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 4.11
ACD/LogD (pH 5.5): 1.99
ACD/BCF (pH 5.5): 9.60
ACD/KOC (pH 5.5): 76.73
ACD/LogD (pH 7.4): 3.17
ACD/BCF (pH 7.4): 144.74
ACD/KOC (pH 7.4): 1157.43
Polar Surface Area: 125 Å2
Polarizability: 56.5±0.5 10-24cm3
Surface Tension: 52.8±7.0 dyne/cm
Molar Volume: 397.0±7.0 cm3

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