P7C3-Ome - ≥98% , CAS No.313268-18-7

CAS: 313268-18-7 Cat. No.: P412914 Fórmula: C₂₂H₂₀Br₂N₂O₂ Peso molecular: 504.2 PubChem CID: 3103961

GRAU & PUREZA ≥98%

Synonyms

1-(3,6-dibromo-9H-carbazol-9-yl)-3-[(3-methoxyphenyl)amino]propan-2-ol

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

Information

P7C3-OMe is a pro-neurogenic compound with therapeutic benefits in neuropsychiatric and/or neurodegenerative disease. The R-enantiomer of P7C3-OMe is far more active than the S-enantiomer.

Especificações

Sinónimos

1-(3,6-dibromo-9H-carbazol-9-yl)-3-[(3-methoxyphenyl)amino]propan-2-ol

Especificações e pureza

≥98%

Mecanismos bioquímicos e fisiológicos

P7C3-OMe is a pro-neurogenic compound with therapeutic benefits in neuropsychiatric and/or neurodegenerative disease. The R-enantiomer of P7C3-OMe is far more active than the S-enantiomer.

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

528766527

Sorrisos canónicos

COC1=CC=CC(=C1)NCC(CN2C3=C(C=C(C=C3)Br)C4=C2C=CC(=C4)Br)O

IUPAC Name

1-(3,6-dibromocarbazol-9-yl)-3-(3-methoxyanilino)propan-2-ol

InChIKey

LEICNUMXFWNCSJ-UHFFFAOYSA-N

INCHI

1S/C22H20Br2N2O2/c1-28-18-4-2-3-16(11-18)25-12-17(27)13-26-21-7-5-14(23)9-19(21)20-10-15(24)6-8-22(20)26/h2-11,17,25,27H,12-13H2,1H3

SMILES isoméricas

COC1=CC=CC(=C1)NCC(CN2C3=C(C=C(C=C3)Br)C4=C2C=CC(=C4)Br)O

PubChem CID

3103961

Peso molecular

504.2

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Biphenyls and derivatives
        • Level5 Brominated biphenyls
          • Level6 Polybrominated biphenyls

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Biphenyls and derivatives
• Intermediate Tree Nodes: Brominated biphenyls
• Direct Parent: Polybrominated biphenyls
• Alternative Parents: Carbazoles N-alkylindoles Aminophenyl ethers Methoxyanilines Indoles Phenylalkylamines Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers Secondary alkylarylamines Substituted pyrroles Aryl bromides Heteroaromatic compounds 1,2-aminoalcohols Secondary alcohols Azacyclic compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Polybrominated biphenyl - Carbazole - N-alkylindole - Indole or derivatives - Indole - Methoxyaniline - Aminophenyl ether - Methoxybenzene - Phenol ether - Phenoxy compound - Phenylalkylamine - Aniline or substituted anilines - Anisole - Alkyl aryl ether - Secondary aliphatic/aromatic amine - Aryl halide - Substituted pyrrole - Aryl bromide - Pyrrole - Heteroaromatic compound - 1,2-aminoalcohol - Secondary alcohol - Secondary amine - Ether - Organoheterocyclic compound - Azacycle - Organobromide - Organohalogen compound - Alcohol - Hydrocarbon derivative - Organic oxygen compound - Amine - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as polybrominated biphenyls. These are organic aromatic compounds containing a biphenyl moiety, which is substituted at two or more ring positions by a bromine atom.
• 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

Mecanismos de ação

Propriedades químicas e físicas

• Peso molecular: 504.200 g/mol
• XLogP3: 5.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 503.987 Da
• Monoisotopic Mass: 501.989 Da
• Topological Polar Surface Area: 46.400 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 485.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1