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MDL 72527 (free base)

CAT: 0804-HY-W680647Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-W680647Size:1 Each
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Description
MDL 72527 free base is a potent polyamine oxidase (PAO) inhibitor. MDL 72527 free base shows a lysosomotropic effect. MDL 72527 shows neuroprotective effects[1][2].
CAS Number
99207-33-7
UNSPSC
12352211
Target
Endogenous Metabolite
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Applications
Neuroscience-Neuromodulation
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/mdl-72527-free-base.html
Smiles
C=C=CCNCCCCNCC=C=C
Molecular Formula
C12H20N2
Molecular Weight
192.30
References & Citations
[1]Doğan A, et al. Effects of MDL 72527, a specific inhibitor of polyamine oxidase, on brain edema, ischemic injury volume, and tissue polyamine levels in rats after temporary middle cerebral artery occlusion. J Neurochem. 1999 Feb;72 (2) :765-70.|[2]Agostinelli E, et al. Toxicity of enzymatic oxidation products of spermine to human melanoma cells (M14) : sensitization by heat and MDL 72527. Biochim Biophys Acta. 2006 Oct;1763 (10) :1040-50.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Mdl72527
CAS Number99207-33-7
PubChem CID4026
IUPAC NameN,N'-bis(buta-2,3-dienyl)butane-1,4-diamine
Molecular FormulaC12H20N2
Molecular Weight192.30
XLogP0.6
Topological Polar Surface Area24.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count9
Heavy Atom Count14
Formal Charge0
Complexity184
SMILES
C=C=CCNCCCCNCC=C=C
InChI
InChI=1S/C12H20N2/c1-3-5-9-13-11-7-8-12-14-10-6-4-2/h5-6,13-14H,1-2,7-12H2
InChIKey
IKSQCMLJDHRWOA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Mdl72527
CAS: 99207-33-7
CID: 4026
Formula: C12H20N2
MW: 192.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight192.30
XLogP30.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count9
Exact Mass192.162648646
Monoisotopic Mass192.162648646
Topological Polar Surface Area24.1 Ų
Heavy Atom Count14
Formal Charge0
Complexity184
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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