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Dasantafil

CAT: 0931-T27122Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0931-T27122Size:2 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
569351-91-3
Target
PDE
Related Pathways
Metabolism
Purity
0.995
Bioactivity
Dasantafil (SCH446132) is a small molecule phosphodiesterase-5A (PDE5A) inhibitor used to treat genitourinary disorders and study erectile dysfunction.
Smiles
C(N1C2=C(N(CCO)C(=O)N(CC)C2=O)N=C1N[C@H]3[C@H](O)CCC3)C4=CC(Br)=C(OC)C=C4
Molecular Formula
C22H28BrN5O5
Molecular Weight
522.39
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Dasantafil

Dasantafil is a small molecule drug. The usage of the INN stem '-afil' in the name indicates that Dasantafil is a inhibitor of phosphodiesterase PDE5 with vasodilator action. Dasantafil has a monoisotopic molecular weight of 521.13 Da.

CAS Number569351-91-3
PubChem CID9871410
IUPAC Name7-[(3-bromo-4-methoxyphenyl)methyl]-1-ethyl-8-[[(1R,2R)-2-hydroxycyclopentyl]amino]-3-(2-hydroxyethyl)purine-2,6-dione
Molecular FormulaC22H28BrN5O5
Molecular Weight522.4
XLogP2.1
Topological Polar Surface Area120
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Heavy Atom Count33
Formal Charge0
Complexity717
SMILES
CCN1C(=O)C2=C(N=C(N2CC3=CC(=C(C=C3)OC)Br)N[C@@H]4CCC[C@H]4O)N(C1=O)CCO
InChI
InChI=1S/C22H28BrN5O5/c1-3-26-20(31)18-19(27(9-10-29)22(26)32)25-21(24-15-5-4-6-16(15)30)28(18)12-13-7-8-17(33-2)14(23)11-13/h7-8,11,15-16,29-30H,3-6,9-10,12H2,1-2H3,(H,24,25)/t15-,16-/m1/s1
InChIKey
RCJYGWGQCPDYSL-HZPDHXFCSA-N
Chemical Structure
2D Structure
2D structure of Dasantafil
CAS: 569351-91-3
CID: 9871410
Formula: C22H28BrN5O5
MW: 522.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight522.4
XLogP32.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Exact Mass521.12738
Monoisotopic Mass521.12738
Topological Polar Surface Area120 Ų
Heavy Atom Count33
Formal Charge0
Complexity717
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-106230A-01Dasantafil

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