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Homo Sildenafil

CAT: 0804-HY-131100-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-131100-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Homo Sildenafil, an analog of Sildenafil, acts as a phosphodiesterase inhibitor[1].
CAS Number
642928-07-2
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Phosphodiesterase (PDE)
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Endocrinology
Assay Protocol
https://www.medchemexpress.com/homo-sildenafil.html
Purity
99.32
Solubility
DMSO : 50 mg/mL (ultrasonic; warming; heat to 60°C)
Smiles
O=C1C(N(C)N=C2CCC)=C2N=C(C3=CC(S(=O)(N4CCN(CC)CC4)=O)=CC=C3OCC)N1
Molecular Formula
C23H32N6O4S
Molecular Weight
488.60
Precautions
H302, H315, H319, H335
References & Citations
[1]Jackie D Corbin, et al. Vardenafil: Structural Basis for Higher Potency Over Sildenafil in Inhibiting cGMP-specific phosphodiesterase-5 (PDE5) . Neurochem Int. 2004 Nov;45 (6) :859-63.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Homosildenafil

Homosildenafil is a sulfonamide.

CAS Number642928-07-2
PubChem CID135565273
IUPAC Name5-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
Molecular FormulaC23H32N6O4S
Molecular Weight488.6
XLogP1.8
Topological Polar Surface Area118
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Heavy Atom Count34
Formal Charge0
Complexity854
SMILES
CCCC1=NN(C2=C1N=C(NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)CC)OCC)C
InChI
InChI=1S/C23H32N6O4S/c1-5-8-18-20-21(27(4)26-18)23(30)25-22(24-20)17-15-16(9-10-19(17)33-7-3)34(31,32)29-13-11-28(6-2)12-14-29/h9-10,15H,5-8,11-14H2,1-4H3,(H,24,25,30)
InChIKey
MJEXYQIZUOHDGY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Homosildenafil
CAS: 642928-07-2
CID: 135565273
Formula: C23H32N6O4S
MW: 488.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight488.6
XLogP31.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Exact Mass488.22057470
Monoisotopic Mass488.22057470
Topological Polar Surface Area118 Ų
Heavy Atom Count34
Formal Charge0
Complexity854
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

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