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Mirodenafil

CAT: 0957-E4986-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0957-E4986-01Size:5 mg
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Description
Mirodenafil (SK3530) is a second-generation, highly selective inhibitor of phosphodiesterase type 5 (PDE5) with an IC50 of 0.34 nM, primarily used in the treatment of erectile dysfunction (ED) .
CAS Number
862189-95-5
Synonyms
SK3530
Target
PDE
Activity
Metabolism
Molecular Formula
C26H37N5O5S

Chemical Information

Mirodenafil

Mirodenafil is 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. It has a role as a vasodilator agent and an EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor. It is a primary alcohol, a sulfonamide, an aromatic ether, a pyrrolopyrimidine and a N-alkylpiperazine.

CAS Number862189-95-5
PubChem CID135497803
IUPAC Name5-ethyl-2-[5-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonyl-2-propoxyphenyl]-7-propyl-3H-pyrrolo[3,2-d]pyrimidin-4-one
Molecular FormulaC26H37N5O5S
Molecular Weight531.7
XLogP2.2
Topological Polar Surface Area125
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count11
Heavy Atom Count37
Formal Charge0
Complexity902
SMILES
CCCC1=CN(C2=C1N=C(NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)CCO)OCCC)CC
InChI
InChI=1S/C26H37N5O5S/c1-4-7-19-18-30(6-3)24-23(19)27-25(28-26(24)33)21-17-20(8-9-22(21)36-16-5-2)37(34,35)31-12-10-29(11-13-31)14-15-32/h8-9,17-18,32H,4-7,10-16H2,1-3H3,(H,27,28,33)
InChIKey
MIJFNYMSCFYZNY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Mirodenafil
CAS: 862189-95-5
CID: 135497803
Formula: C26H37N5O5S
MW: 531.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight531.7
XLogP32.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count11
Exact Mass531.25154047
Monoisotopic Mass531.25154047
Topological Polar Surface Area125 Ų
Heavy Atom Count37
Formal Charge0
Complexity902
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BA3005-100Mirodenafil
TQ0126-01Mirodenafil dihydrochloride
HY-14930A-01Mirodenafil (dihydrochloride)
A21260-50Mirodenafil 50mg
AR-M04808-01Mirodenafil-d7
HY-14930R-01Mirodenafil (Standard)

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