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4-PPBP maleate

CAT: 0013-GTR19201499-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19201499-01Size:5 mg
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Description
4-PPBP maleate is a potent and selective σ1 receptor agonist and a non-competitive NR1a/2B NMDA receptor antagonist. This dual pharmacological profile underpins its neuroprotective properties, making it a valuable research tool for studying neuropathic pain, ischemia, and neurodegenerative disease models in vitro and in vivo.
CAS Number
201216-39-9
Product Name Alternative
Sigma receptor, Sigmareceptor, σ, 4 PPBP maleate, 4PPBP maleate, 4-PPBP Maleate, NR1a/2B NMDA receptor
Field of Research
Immunology & Inflammation, Neuroscience, Pharmacology & Drug Discovery
Purity
99.54% (May vary between batches)
Solubility
Ethanol:< 10.24 mg/mL; DMSO:225 mg/mL (549.42 mM)
Smiles
C (=C\C (O) =O) \C (O) =O.C (CCCC1=CC=CC=C1) N2CCC (CC2) C3=CC=CC=C3
Molecular Formula
C25H31NO4
Molecular Weight
409.52
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

4-Ppbp maleate
CAS Number201216-39-9
PubChem CID11682970
IUPAC Name(Z)-but-2-enedioic acid;4-phenyl-1-(4-phenylbutyl)piperidine
Molecular FormulaC25H31NO4
Molecular Weight409.5
Topological Polar Surface Area77.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Heavy Atom Count30
Formal Charge0
Complexity399
SMILES
C1CN(CCC1C2=CC=CC=C2)CCCCC3=CC=CC=C3.C(=C\C(=O)O)\C(=O)O
InChI
InChI=1S/C21H27N.C4H4O4/c1-3-9-19(10-4-1)11-7-8-16-22-17-14-21(15-18-22)20-12-5-2-6-13-20;5-3(6)1-2-4(7)8/h1-6,9-10,12-13,21H,7-8,11,14-18H2;1-2H,(H,5,6)(H,7,8)/b;2-1-
InChIKey
OASPNIMFGJVLES-BTJKTKAUSA-N
Chemical Structure
2D Structure
2D structure of 4-Ppbp maleate
CAS: 201216-39-9
CID: 11682970
Formula: C25H31NO4
MW: 409.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight409.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Exact Mass409.22530847
Monoisotopic Mass409.22530847
Topological Polar Surface Area77.8 Ų
Heavy Atom Count30
Formal Charge0
Complexity399
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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