BIMU 8 - ≥98%(HPLC) , CAS No.134296-40-5

CAS: 134296-40-5 Cat. No.: B287151 Formule: C₁₉H₂₆N₄O₂•HCl Poids moléculaire: 378.9

GRADE & PURITY ≥98%(HPLC)

Synonyms

BIMU8 | BIMU-8 | 1H-Benzimidazole-1-carboxamide, 2,3-dihydro-N-(8-méthyl-8-azabicyclo(3.2.1)oct-3-yl)-3-(1-méthyléthyl)-2-oxo-, monohydrochloride, endo- | (endo-N-8-Méthyl-8-azabicyclo-(3.2.1)oct-3-yl)-2,3-dihydro-3-isopropyl-2-oxo-1H-benzimidazol-1-carbo

Storage

A conserver entre 2 et 8°C

Shipped In

Glace humide

Specifications

Synonymes

BIMU8 | BIMU-8 | 1H-Benzimidazole-1-carboxamide, 2,3-dihydro-N-(8-méthyl-8-azabicyclo(3.2.1)oct-3-yl)-3-(1-méthyléthyl)-2-oxo-, monohydrochloride, endo- | (endo-N-8-Méthyl-8-azabicyclo-(3.2.1)oct-3-yl)-2,3-dihydro-3-isopropyl-2-oxo-1H-benzimidazol-1-carbo

Spécifications et pureté

≥98%(HPLC)

Mécanismes biochimiques et physiologiques

Potent 5-HT4receptor full agonist (KD= 77 nM and EC50= 18 nM for wild type 5-HT4receptors). Binds to receptors in a mechanism different to that of the endogenous ligand 5-HT.

Conditions de stockage de stockage

A conserver entre 2 et 8°C

Expédié en

Glace humide

Type d'action

AGONIST

Pureté

≥98%(HPLC)

Noms et identifiants

• Sourires canoniques: CC(C)N1C2=CC=CC=C2N(C1=O)C(=O)NC3CC4CCC(C3)N4C.Cl
• IUPAC Name: N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-2-oxo-3-propan-2-ylbenzimidazole-1-carboxamide;hydrochloride
• InChIKey: NQYXXIUVFVOJCX-XZPOUAKSSA-N
• INCHI: 1S/C19H26N4O2.ClH/c1-12(2)22-16-6-4-5-7-17(16)23(19(22)25)18(24)20-13-10-14-8-9-15(11-13)21(14)3;/h4-7,12-15H,8-11H2,1-3H3,(H,20,24);1H/t13?,14-,15+
• Isomères SMILES: CC(C)N1C2=CC=CC=C2N(C1=O)C(=O)NC3C[C@H]4CC[C@@H](C3)N4C.Cl
• Poids moléculaire: 378.9
• Reaxy-Rn: 25080312
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=25080312&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Alkaloids and derivatives
    • Classe Tropane alkaloids

• Kingdom: Organic compounds
• Superclass: Alkaloids and derivatives
• Classe: Tropane alkaloids
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Tropane alkaloids
• Alternative Parents: Benzimidazoles Carbonylimidazoles Piperidines N-substituted imidazoles N-alkylpyrrolidines Benzenoids Heteroaromatic compounds Ureas Trialkylamines Azacyclic compounds Organooxygen compounds Organic oxides Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzimidazole - Tropane alkaloid - Imidazole-1-carbonyl group - N-substituted imidazole - Piperidine - Benzenoid - N-alkylpyrrolidine - Azole - Imidazole - Heteroaromatic compound - Pyrrolidine - Tertiary amine - Tertiary aliphatic amine - Urea - Organoheterocyclic compound - Azacycle - Hydrochloride - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as tropane alkaloids. These are organic compounds containing the nitrogenous bicyclic alkaloid parent N-Methyl-8-azabicyclo[3.2.1]octane.
• 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: 28.42, Max Conc. mM: 75; Solvent:DMSO, Max Conc. mg/mL: 37.89, Max Conc. mM: 100
• Poids moléculaire: 378.900 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 378.182 Da
• Monoisotopic Mass: 378.182 Da
• Topological Polar Surface Area: 55.900 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 538.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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: 2

XLogP3