Furamidine dihydrochloride - ≥98% , CAS No.55368-40-6

CAS: 55368-40-6 Cat. No.: F286803 Peso molecular: 377.27 Número EC: 884-818-0 PubChem CID: 9799856

GRADE & PURITY ≥98%

Synonyms

DB 75 | DB75 | NSC 305831 | WR199385 | 4-[5-(4-carbamimidoylphenyl)furan-2-yl]benzenecarboximidamide;dihydrochloride | DTXSID90970703 | 4,4'-(Furan-2,5-diyl)dibenzimidamidedihydrochloride | 4,4'-(2,5-Furandiyl)dibenzenecarboximidamide dihydrochloride | 4,

Storage

Protected from light,Store at -20°C,Argon charged,Desiccated

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

DB 75 | DB75 | NSC 305831 | WR199385 | 4-[5-(4-carbamimidoylphenyl)furan-2-yl]benzenecarboximidamide;dihydrochloride | DTXSID90970703 | 4, 4'-(Furan-2, 5-diyl)dibenzimidamidedihydrochloride | 4, 4'-(2, 5-Furandiyl)dibenzenecarboximidamide dihydrochloride | 4,

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

Selective protein arginine methyltransferase 1 (PRMT1) inhibitor (IC50= 9.4μM). Exhibits selectivity over PRMT5, PRMT6 and CARM1 (IC50values are 166, 283 and >400μM respectively). Inhibits cell proliferation in leukemia cell lines. Cell-permeable.

Condiciones de almacenamiento de almacenamiento

Protected from light, Store at -20°C, Argon charged, Desiccated

Enviado en

Ice chest + Ice pads

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

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: C1=CC(=CC=C1C2=CC=C(O2)C3=CC=C(C=C3)C(=N)N)C(=N)N.Cl.Cl
• IUPAC Name: 4-[5-(4-carbamimidoylphenyl)furan-2-yl]benzenecarboximidamide;dihydrochloride
• InChIKey: VXNYQUQHOUERTR-UHFFFAOYSA-N
• INCHI: 1S/C18H16N4O.2ClH/c19-17(20)13-5-1-11(2-6-13)15-9-10-16(23-15)12-3-7-14(8-4-12)18(21)22;;/h1-10H,(H3,19,20)(H3,21,22);2*1H
• Isómeros SMILES: C1=CC(=CC=C1C2=CC=C(O2)C3=CC=C(C=C3)C(=N)N)C(=N)N.Cl.Cl
• PubChem CID: 9799856
• Peso molecular: 377.27

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Furans
      • Subclass Diphenylfurans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Furans
• Subclass: Diphenylfurans
• Intermediate Tree Nodes: Not available
• Direct Parent: 2,5-diphenylfurans
• Alternative Parents: Benzene and substituted derivatives Heteroaromatic compounds Oxacyclic compounds Carboximidamides Carboxamidines Organopnictogen compounds Organooxygen compounds Organic chloride salts Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2,5-diphenylfuran - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Amidine - Oxacycle - Carboximidamide - Carboxylic acid amidine - Organic chloride salt - Organic salt - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 2,5-diphenylfurans. These are organic heterocyclic compounds that contain a furan ring substituted with a phenyl group only the C2- and C5-positions.
• 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: 18.86, Max Conc. mM: 50; Solvent:DMSO, Max Conc. mg/mL: 18.86, Max Conc. mM: 50
• Sensibilidad: light sensitive；Moisture sensitive
• Peso molecular: 377.300 g/mol
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 376.086 Da
• Monoisotopic Mass: 376.086 Da
• Topological Polar Surface Area: 113.000 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 396.000
• 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: 3

XLogP3