MCOPPB trihydrochloride - ≥99%(HPLC) , CAS No.1108147-88-1

CAS: 1108147-88-1 Cat. No.: M288568 Peso molecular: 534.05 PubChem CID: 25208093

GRADE & PURITY ≥99%(HPLC)

Synonyms

MCOPPB triHydrochloride | 1-[1-(1-Methylcyclooctyl)piperidin-4-yl]-2-[(3R)-piperidin-3-yl]benzimidazole trihydrochloride | MCOPPB 3HCl | UNII-SIO8DBP4K7 | SIO8DBP4K7 | MCOPPB (triHydrochloride) | 1108147-88-1 | 1-[1-(1-methylcyclooctyl)-4-piperidinyl]-2-(

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

MCOPPB triHydrochloride | 1-[1-(1-Methylcyclooctyl)piperidin-4-yl]-2-[(3R)-piperidin-3-yl]benzimidazole trihydrochloride | MCOPPB 3HCl | UNII-SIO8DBP4K7 | SIO8DBP4K7 | MCOPPB (triHydrochloride) | 1108147-88-1 | 1-[1-(1-methylcyclooctyl)-4-piperidinyl]-2-(

Especificaciones y pureza

≥99%(HPLC)

Mecanismos bioquímicos y fisiológicos

High affinity NOP receptor agonist (pKi= 10.07 for the human NOP receptor). Exhibits anxiolytic effects with no effect on memory or locomotion. Regarded as one of the most potent, non-peptide NOP full agonistsin vitro.

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Tipo de acción

AGONIST

Pureza

≥99%(HPLC)

Nombres e identificadores

• Sonrisas canónicas: CC1(CCCCCCC1)N2CCC(CC2)N3C4=CC=CC=C4N=C3C5CCCNC5.Cl.Cl.Cl
• IUPAC Name: 1-[1-(1-methylcyclooctyl)piperidin-4-yl]-2-[(3R)-piperidin-3-yl]benzimidazole;trihydrochloride
• InChIKey: DTIPEVOPCGEULQ-RFCADEKQSA-N
• INCHI: 1S/C26H40N4.3ClH/c1-26(15-7-3-2-4-8-16-26)29-18-13-22(14-19-29)30-24-12-6-5-11-23(24)28-25(30)21-10-9-17-27-20-21;;;/h5-6,11-12,21-22,27H,2-4,7-10,13-20H2,1H3;3*1H/t21-;;;/m1.../s1
• Isómeros SMILES: CC1(CCCCCCC1)N2CCC(CC2)N3C4=CC=CC=C4N=C3[C@@H]5CCCNC5.Cl.Cl.Cl
• PubChem CID: 25208093
• Peso molecular: 534.05

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Benzimidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Benzimidazoles
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzimidazoles
• Alternative Parents: Aralkylamines Piperidines N-substituted imidazoles Benzenoids Heteroaromatic compounds Trialkylamines Dialkylamines Azacyclic compounds Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzimidazole - Aralkylamine - N-substituted imidazole - Benzenoid - Piperidine - Azole - Heteroaromatic compound - Imidazole - Tertiary aliphatic amine - Tertiary amine - Secondary aliphatic amine - Azacycle - Secondary amine - Amine - Hydrocarbon derivative - Hydrochloride - Organonitrogen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzimidazoles. These are organic compounds containing a benzene ring fused to an imidazole ring (five member ring containing a nitrogen atom, 4 carbon atoms, and two double bonds).
• 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

Propiedades químicas y físicas

• Solubilidad: Solvent:water, Max Conc. mg/mL: 16.02, Max Conc. mM: 30; Solvent:DMSO, Max Conc. mg/mL: 32.04, Max Conc. mM: 60
• Peso molecular: 518.000 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 516.255 Da
• Monoisotopic Mass: 516.255 Da
• Topological Polar Surface Area: 33.100 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 535.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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: 4

XLogP3