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5MPN

CAT: 0931-T40565-04Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T40565-04Size:10 mg
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CAS Number
47208-82-2
Target
Glucokinase, Phosphatase
Related Pathways
Metabolism
Purity
0.9969
Bioactivity
5MPN is an orally active and selective inhibitor of 6-phosphofructokinase-2-kinase (PFKFB4) that competitively inhibits the F6P binding site and inhibits the proliferation of myeloma cells, and can be used in the study of myeloproliferative neoplasms.
Smiles
COc1cccc2c(NCCCCCO[N+]([O-])=O)ccnc12
Molecular Formula
C15H19N3O4
Molecular Weight
305.33
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

5-(n-(8-Methoxy-4-quinolyl)amino)pentyl nitrate

inhibits PFKFB4 protein; structure in first source

CAS Number47208-82-2
PubChem CID4060327
IUPAC Name5-[(8-methoxyquinolin-4-yl)amino]pentyl nitrate
Molecular FormulaC15H19N3O4
Molecular Weight305.33
XLogP3.5
Topological Polar Surface Area89.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count22
Formal Charge0
Complexity337
SMILES
COC1=CC=CC2=C(C=CN=C21)NCCCCCO[N+](=O)[O-]
InChI
InChI=1S/C15H19N3O4/c1-21-14-7-5-6-12-13(8-10-17-15(12)14)16-9-3-2-4-11-22-18(19)20/h5-8,10H,2-4,9,11H2,1H3,(H,16,17)
InChIKey
YBOILUNNGBGURC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-(n-(8-Methoxy-4-quinolyl)amino)pentyl nitrate
CAS: 47208-82-2
CID: 4060327
Formula: C15H19N3O4
MW: 305.33
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight305.33
XLogP33.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass305.13755610
Monoisotopic Mass305.13755610
Topological Polar Surface Area89.2 Ų
Heavy Atom Count22
Formal Charge0
Complexity337
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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