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KD-027

CAT: 0931-T27720-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T27720-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
906421-01-0
Target
PDE
Related Pathways
Metabolism
Purity
0.9955
Bioactivity
KD-027 is a novel and long-acting PDE5A (phosphodiesterase 5A) inhibitor with potential antihypertensive activity.
Smiles
O=C1N=C(NN2C1=C(N=C2CCC)C)C=3C=C(C=CC3OCC)S(=O)(=O)N(C)CC(=O)N(C)CC(=O)N(C)C
Molecular Formula
C25H35N7O6S
Molecular Weight
561.65
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-[[2-[[4-ethoxy-3-(5-methyl-4-oxo-7-propyl-1H-imidazo[5,1-f][1,2,4]triazin-2-yl)phenyl]sulfonyl-methylamino]acetyl]-methylamino]-N,N-dimethylacetamide
CAS Number906421-01-0
PubChem CID135399813
IUPAC Name2-[[2-[[4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)phenyl]sulfonyl-methylamino]acetyl]-methylamino]-N,N-dimethylacetamide
Molecular FormulaC25H35N7O6S
Molecular Weight561.7
XLogP1.3
Topological Polar Surface Area155
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count11
Heavy Atom Count39
Formal Charge0
Complexity1050
SMILES
CCCC1=NC(=C2N1N=C(NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N(C)CC(=O)N(C)CC(=O)N(C)C)OCC)C
InChI
InChI=1S/C25H35N7O6S/c1-8-10-20-26-16(3)23-25(35)27-24(28-32(20)23)18-13-17(11-12-19(18)38-9-2)39(36,37)31(7)15-22(34)30(6)14-21(33)29(4)5/h11-13H,8-10,14-15H2,1-7H3,(H,27,28,35)
InChIKey
KMBGDFWPWSDZTL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-[[2-[[4-ethoxy-3-(5-methyl-4-oxo-7-propyl-1H-imidazo[5,1-f][1,2,4]triazin-2-yl)phenyl]sulfonyl-methylamino]acetyl]-methylamino]-N,N-dimethylacetamide
CAS: 906421-01-0
CID: 135399813
Formula: C25H35N7O6S
MW: 561.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight561.7
XLogP31.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count11
Exact Mass561.23695304
Monoisotopic Mass561.23695304
Topological Polar Surface Area155 Ų
Heavy Atom Count39
Formal Charge0
Complexity1050
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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