4-PPBP maleate - ≥97% , CAS No.201216-39-9

CAS: 201216-39-9 Cat. No.: P288430 Molecular Weight: 409.52 PubChem CID: 11682970

GRADE & PURITY ≥97%

Synonyms

HMS3411K06 | HMS3675K06 | SR-01000597897 | 4-PPBP (maleate) | AKOS024458584 | SR-01000597897-1 | SCHEMBL1604001 | PD021964 | 4-Phenyl-1-(4-phenylbutyl)piperidine maleate | HY-101043 | PPBP maleate, >=98% (HPLC), powder | 4-PPBP MALEATE | (Z)-but-2-enedioi

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

4-PPBP maleate is a potent σ1 receptor (ligand) agonist. 4-PPBP maleate can be considered a selective, non-competitive NR1a/2B NMDA receptor antagonist in the context of Xenopus oocytes expression. 4-PPBP maleate has neuroprotective properties.

Specifications

Synonyms

HMS3411K06 | HMS3675K06 | SR-01000597897 | 4-PPBP (maleate) | AKOS024458584 | SR-01000597897-1 | SCHEMBL1604001 | PD021964 | 4-Phenyl-1-(4-phenylbutyl)piperidine maleate | HY-101043 | PPBP maleate, >=98% (HPLC), powder | 4-PPBP MALEATE | (Z)-but-2-enedioi

Specifications & Purity

≥97%

Biochemical and Physiological Mechanisms

σligand and selective non-competitive antagonist at recombinant NR1a/2B NMDA receptors expressed in Xenopus oocytes.

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

ANTAGONIST

Purity

≥97%

Names and Identifiers

• Canonical Smiles: C1CN(CCC1C2=CC=CC=C2)CCCCC3=CC=CC=C3.C(=CC(=O)O)C(=O)O
• IUPAC Name: (Z)-but-2-enedioic acid;4-phenyl-1-(4-phenylbutyl)piperidine
• InChIKey: OASPNIMFGJVLES-BTJKTKAUSA-N
• 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-
• Isomeric SMILES: C1CN(CCC1C2=CC=CC=C2)CCCCC3=CC=CC=C3.C(=C\C(=O)O)\C(=O)O
• PubChem CID: 11682970
• Molecular Weight: 409.52

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Piperidines
      • Subclass Phenylpiperidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Piperidines
• Subclass: Phenylpiperidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpiperidines
• Alternative Parents: Phenylbutylamines Aralkylamines Unsaturated fatty acids Dicarboxylic acids and derivatives Trialkylamines Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Not available
• Substituents: Phenylpiperidine - Phenylbutylamine - Aralkylamine - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Unsaturated fatty acid - Fatty acyl - Fatty acid - Benzenoid - Tertiary amine - Tertiary aliphatic amine - Carboxylic acid - Carboxylic acid derivative - Azacycle - Amine - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylpiperidines. These are compounds containing a phenylpiperidine skeleton, which consists of a piperidine bound to a phenyl group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(non-human)

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Grin1 Glutamate NMDA receptor; Grin1/Grin2b (1028 Activities)

Discover Target: Grin1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Grin1 Glutamate NMDA receptor; Grin1/Grin2a (798 Activities)

Discover Target: Grin1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Grin1 Glutamate NMDA receptor; Grin1/Grin2c (1127 Activities)

Discover Target: Grin1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Solvent:ethanol, Max Conc. mg/mL: 10.24, Max Conc. mM: 25; Solvent:DMSO, Max Conc. mg/mL: 10.24, Max Conc. mM: 25
• Sensitivity: Moisture sensitive
• Molecular Weight: 409.500 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 409.225 Da
• Monoisotopic Mass: 409.225 Da
• Topological Polar Surface Area: 77.800 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 399.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 2

XLogP3