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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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 Number	1281681-33-1
PubChem CID	57326492
IUPAC Name	N-(2-morpholin-4-ylethyl)-2,3-diphenyl-1,2,4-thiadiazol-5-imine;dihydrobromide
Molecular Formula	C20H24Br2N4OS
Molecular Weight	528.3
Topological Polar Surface Area	65.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Heavy Atom Count	28
Formal Charge	0
Complexity	506

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

CAS: 1281681-33-1

CID: 57326492

Formula: C20H24Br2N4OS

MW: 528.3

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	528.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	528.00171
Monoisotopic Mass	526.00376
Topological Polar Surface Area	65.7 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	506
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	3
Compound Is Canonicalized	Yes

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Alternative Products

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

VP3.15 (dihydrobromide)

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