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KMUP-1

CAT: 0013-GTR19258164-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19258164-02Size:50 mg
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Description
KMUP-1 is a xanthine derivative known for its vasodilatory properties. It functions as a phosphodiesterase (PDE) inhibitor and an activator of soluble guanylate cyclase (sGC), engaging the NO/sGC/cyclic guanosine monophosphate pathway. Additionally, KMUP-1 can open K+ channels and has the potential to alleviate ischemia-induced cardiac myocyte apoptosis (apoptosis) . This compound is useful in cardiovascular and anti-inflammatory research.
CAS Number
81996-46-5
Field of Research
Cell Biology, Metabolism Research, Pharmacology & Drug Discovery
Smiles
O=C1C2=C (N=CN2CCN3CCN (C=4C=CC=CC4Cl) CC3) N (C (=O) N1C) C
Molecular Formula
C19H23ClN6O2
Molecular Weight
402.878
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Kmup 1

a potassium channel opener and stimulator of the NO/sGC/cGMP pathway; structure in first source

CAS Number81996-46-5
PubChem CID10453764
IUPAC Name7-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-1,3-dimethylpurine-2,6-dione
Molecular FormulaC19H23ClN6O2
Molecular Weight402.9
XLogP1.7
Topological Polar Surface Area64.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count28
Formal Charge0
Complexity599
SMILES
CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCN3CCN(CC3)C4=CC=CC=C4Cl
InChI
InChI=1S/C19H23ClN6O2/c1-22-17-16(18(27)23(2)19(22)28)26(13-21-17)12-9-24-7-10-25(11-8-24)15-6-4-3-5-14(15)20/h3-6,13H,7-12H2,1-2H3
InChIKey
NIDVDYQCGWISJZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Kmup 1
CAS: 81996-46-5
CID: 10453764
Formula: C19H23ClN6O2
MW: 402.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight402.9
XLogP31.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass402.1571017
Monoisotopic Mass402.1571017
Topological Polar Surface Area64.9 Ų
Heavy Atom Count28
Formal Charge0
Complexity599
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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