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

CAS: 1108147-88-1 Cat. No.: M288568 Formule: C₂₆H₄₀N₄.₃HCl Poids moléculaire: 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

Synonymes

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-(

Spécifications et pureté

≥99%(HPLC)

Mécanismes biochimiques et physiologiques

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.

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Type d'action

AGONIST

Pureté

≥99%(HPLC)

Noms et identifiants

Sourires canoniques

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

Isomères SMILES

CC1(CCCCCCC1)N2CCC(CC2)N3C4=CC=CC=C4N=C3[C@@H]5CCCNC5.Cl.Cl.Cl

PubChem CID

25208093

Poids moléculaire

534.05

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Benzimidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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
• Description: 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

Propriétés chimiques et physiques

• Solubilité: Solvent:water, Max Conc. mg/mL: 16.02, Max Conc. mM: 30; Solvent:DMSO, Max Conc. mg/mL: 32.04, Max Conc. mM: 60
• Poids moléculaire: 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

Foire aux questions

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.

What is the purity of this product, and how is it determined?

This product is supplied at ≥99% purity, determined by HPLC. Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1108147-88-1, the molecular formula is C??H??N?.?HCl, and the molecular weight is 534.05 g/mol. InChIKey DTIPEVOPCGEULQ-RFCADEKQSA-N.