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VP3.15 (dihydrobromide)

CAT: 0804-HY-128879A-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-128879A-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
VP3.15 dihydrobromide is a potent, orally bioavailable and CNS-penetrant dual phosphodiesterase (PDE) 7- glycogen synthase kinase (GSK) 3 inhibitor, with IC50s of 1.59 μM and 0.88 μM for PDE7 and GSK-3, respectively. VP3.15 dihydrobromide has neuroprotective and neuroreparative activities, thus as potential combined anti-inflammatory and pro-remyelinating therapies for multiple sclerosis (MS) [1].
CAS Number
1281681-33-1
UNSPSC
12352005
Target
GSK-3; Phosphodiesterase (PDE)
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease; PI3K/Akt/mTOR; Stem Cell/Wnt
Applications
Neuroscience-Neuromodulation
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/vp3-15-dihydrobromide.html
Purity
98.01
Solubility
DMSO : 62.5 mg/mL (ultrasonic)
Smiles
[H]Br.[H]Br.N1(CC/N=C2N=C(C3=CC=CC=C3)N(C4=CC=CC=C4)S/2)CCOCC1
Molecular Formula
C20H24Br2N4OS
Molecular Weight
528.30
References & Citations
[1]Medina-Rodríguez EM, et al. Promoting in vivo remyelination with small molecules: a neuroreparative pharmacological treatment for Multiple Sclerosis. Sci Rep. 2017 Mar 3;7:43545.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, sealed storage, away from moisture)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
PDE7
Citation 01
J Biol Chem. 2025 Jan 27:108244.|Pennsylvania State University. 2025.|J Biol Chem. 2023 Aug;299 (8) :104991.

Chemical Information

VP3.15 dihydrobromide
CAS Number1281681-33-1
PubChem CID57326492
IUPAC NameN-(2-morpholin-4-ylethyl)-2,3-diphenyl-1,2,4-thiadiazol-5-imine;dihydrobromide
Molecular FormulaC20H24Br2N4OS
Molecular Weight528.3
Topological Polar Surface Area65.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count28
Formal Charge0
Complexity506
SMILES
C1COCCN1CCN=C2N=C(N(S2)C3=CC=CC=C3)C4=CC=CC=C4.Br.Br
InChI
InChI=1S/C20H22N4OS.2BrH/c1-3-7-17(8-4-1)19-22-20(21-11-12-23-13-15-25-16-14-23)26-24(19)18-9-5-2-6-10-18;;/h1-10H,11-16H2;2*1H
InChIKey
CAJZOXQDSKOPBU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of VP3.15 dihydrobromide
CAS: 1281681-33-1
CID: 57326492
Formula: C20H24Br2N4OS
MW: 528.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight528.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass528.00171
Monoisotopic Mass526.00376
Topological Polar Surface Area65.7 Ų
Heavy Atom Count28
Formal Charge0
Complexity506
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
GBC68133-01VP3.15 dihydrobromide
A21789-500VP3.15 dihydrobromide 500mg
A21789-2VP3.15 dihydrobromide 2mg
A21789-100VP3.15 dihydrobromide 100mg
A21789-50VP3.15 dihydrobromide 50mg
A21789-10VP3.15 dihydrobromide 10mg
A21789-25VP3.15 dihydrobromide 25mg
A21789-5VP3.15 dihydrobromide 5mg
A21789-10mM-DVP3.15 dihydrobromide 10mM * 1mL in DMSO
GTR19205235-01VP3.15

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