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Udenafil-d7

CAT: 0804-HY-18253S-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-18253S-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Udenafil-d7 is the deuterium labeled Udenafil. Udenafil (DA8159) is a potent, selective and orally active phosphodiesterase type 5 (PDE5) inhibitor. Udenafil also inhibits cGMP hydrolysis and can be used for erectile dysfunction research[1][2].
CAS Number
1175992-76-3
UNSPSC
12352005
Target
Isotope-Labeled Compounds; Phosphodiesterase (PDE)
Type
Isotope-Labeled Compounds
Related Pathways
Metabolic Enzyme/Protease; Others
Field of Research
Endocrinology; Others
Solubility
10 mM in DMSO
Smiles
CCCC1=NN(C)C2=C1NC(C3=C(C=CC(S(NCCC4N(CCC4)C)(=O)=O)=C3)OC([2H])([2H])C([2H])([2H])C([2H])([2H])[2H])=NC2=O
Molecular Formula
C25H29D7N6O4S
Molecular Weight
523.70
References & Citations
[1]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53 (2) :211-216. |[2]Zhao, C., et al., Activity of phosphodiesterase type 5 inhibitors in patients with lower urinary tract symptoms due to benign prostatic hyperplasia. BJU Int, 2011. 107 (12) : p. 1943-7.|[3]Paick, J.S., et al., The efficacy and safety of udenafil, a new selective phosphodiesterase type 5 inhibitor, in patients with erectile dysfunction. J Sex Med, 2008. 5 (4) : p. 946-53.
Shipping Conditions
Room temperature
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

Udenafil-d7
CAS Number1175992-76-3
PubChem CID136234084
IUPAC Name4-(1,1,2,2,3,3,3-heptadeuteriopropoxy)-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-5-yl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzenesulfonamide
Molecular FormulaC25H36N6O4S
Molecular Weight523.7
XLogP3
Topological Polar Surface Area126
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count11
Heavy Atom Count36
Formal Charge0
Complexity893
SMILES
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])OC1=C(C=C(C=C1)S(=O)(=O)NCCC2CCCN2C)C3=NC4=C(C(=O)N3)N(N=C4CCC)C
InChI
InChI=1S/C25H36N6O4S/c1-5-8-20-22-23(31(4)29-20)25(32)28-24(27-22)19-16-18(10-11-21(19)35-15-6-2)36(33,34)26-13-12-17-9-7-14-30(17)3/h10-11,16-17,26H,5-9,12-15H2,1-4H3,(H,27,28,32)/i2D3,6D2,15D2
InChIKey
IYFNEFQTYQPVOC-SHIXOTCGSA-N
Chemical Structure
2D Structure
2D structure of Udenafil-d7
CAS: 1175992-76-3
CID: 136234084
Formula: C25H36N6O4S
MW: 523.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight523.7
XLogP33
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count11
Exact Mass523.29581205
Monoisotopic Mass523.29581205
Topological Polar Surface Area126 Ų
Heavy Atom Count36
Formal Charge0
Complexity893
Isotope Atom Count7
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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