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CGP-28014

CAT: 0931-T26997-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T26997-03Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
111757-17-6
Target
Others, Transferase
Related Pathways
Metabolism, Others
Bioactivity
CGP-28014 is an inhibitor of catechol-O-methyltransferase. CGP-28014 increases the renal excretion of both dopamine and dihydroxyphenylacetic acid (DOPAC) but does not affect renal sodium handling indicating a different mechanism of action. CGP-28014 significantly reduced the levels of homovanillic acid (HVA), but did not modify DA and 3,4-dihydroxyphenylacetic acid (DOPAC) .
Smiles
N(=CN(CCC)CCC)C=1NC(=O)C=CC1
Molecular Formula
C12H19N3O
Molecular Weight
221.3
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-(2-pyridone-6-yl)-N',N'-di-n-propylformamidine

CGP 28014 is a pyridone.

CAS Number111757-17-6
PubChem CID9577272
IUPAC NameN'-(6-oxo-1H-pyridin-2-yl)-N,N-dipropylmethanimidamide
Molecular FormulaC12H19N3O
Molecular Weight221.30
XLogP1.9
Topological Polar Surface Area44.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Heavy Atom Count16
Formal Charge0
Complexity312
SMILES
CCCN(CCC)/C=N/C1=CC=CC(=O)N1
InChI
InChI=1S/C12H19N3O/c1-3-8-15(9-4-2)10-13-11-6-5-7-12(16)14-11/h5-7,10H,3-4,8-9H2,1-2H3,(H,14,16)/b13-10+
InChIKey
MEYPAYJYAZKERR-JLHYYAGUSA-N
Chemical Structure
2D Structure
2D structure of N-(2-pyridone-6-yl)-N',N'-di-n-propylformamidine
CAS: 111757-17-6
CID: 9577272
Formula: C12H19N3O
MW: 221.30
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight221.30
XLogP31.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Exact Mass221.152812238
Monoisotopic Mass221.152812238
Topological Polar Surface Area44.7 Ų
Heavy Atom Count16
Formal Charge0
Complexity312
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes