Paliroden - Moligand™, ≥98% , CAS No.188396-77-2

CAS: 188396-77-2 Cat. No.: P650410 Molecular Weight: 407.47

GRADE & PURITY Moligand™, ≥98%

Synonyms

CNEWKIDCGDXBDE-UHFFFAOYSA-N | HY-101580 | 1-[2-(4-phenylphenyl)ethyl]-4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine | AKOS040742362 | DTXSID60870180 | 17VJ76L90T | 1-(2-([1,1'-biphenyl]-4-yl)ethyl)-4-(3-(trifluoromethyl)phenyl)-1,2,3,6-tetrahydrop

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Paliroden is a bioactive neurotrophic, non-peptidic compound that activates synthesis of endogenous neurotrophines, used for treatment of Alzheimer's Disease and Parkinson's.

Specifications

Synonyms

CNEWKIDCGDXBDE-UHFFFAOYSA-N | HY-101580 | 1-[2-(4-phenylphenyl)ethyl]-4-[3-(trifluoromethyl)phenyl]-3, 6-dihydro-2H-pyridine | AKOS040742362 | DTXSID60870180 | 17VJ76L90T | 1-(2-([1, 1'-biphenyl]-4-yl)ethyl)-4-(3-(trifluoromethyl)phenyl)-1, 2, 3, 6-tetrahydrop

Specifications & Purity

Moligand™, ≥98%

Biochemical and Physiological Mechanisms

Paliroden is an orally bioactive neurotrophic, non-peptidic compound that activates synthesis of endogenous neurotrophines, used for treatment of Alzheimer's Disease and Parkinson's.

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.

Grade

Moligand™

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C1CN(CC=C1C2=CC(=CC=C2)C(F)(F)F)CCC3=CC=C(C=C3)C4=CC=CC=C4
• IUPAC Name: 1-[2-(4-phenylphenyl)ethyl]-4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine
• InChIKey: CNEWKIDCGDXBDE-UHFFFAOYSA-N
• INCHI: 1S/C26H24F3N/c27-26(28,29)25-8-4-7-24(19-25)23-14-17-30(18-15-23)16-13-20-9-11-22(12-10-20)21-5-2-1-3-6-21/h1-12,14,19H,13,15-18H2
• Isomeric SMILES: C1CN(CC=C1C2=CC(=CC=C2)C(F)(F)F)CCC3=CC=C(C=C3)C4=CC=CC=C4
• Alternate CAS: 188396-77-2
• Molecular Weight: 407.47

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Biphenyls and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Biphenyls and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Biphenyls and derivatives
• Alternative Parents: Trifluoromethylbenzenes Phenethylamines Aralkylamines Hydropyridines Trialkylamines Azacyclic compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Biphenyl - Trifluoromethylbenzene - Phenethylamine - Aralkylamine - Hydropyridine - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organoheterocyclic compound - Alkyl fluoride - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic nitrogen compound - Amine - Alkyl halide - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.
• 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

Chemical and Physical Properties

• Molecular Weight: 407.500 g/mol
• XLogP3: 6.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 407.186 Da
• Monoisotopic Mass: 407.186 Da
• Topological Polar Surface Area: 3.200 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 555.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1