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

CAS: 55368-40-6 Cat. No.: F286803 Molecular Weight: 377.27 EC Number: 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

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,

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

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.

Storage

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

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: 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
• Isomeric SMILES: C1=CC(=CC=C1C2=CC=C(O2)C3=CC=C(C=C3)C(=N)N)C(=N)N.Cl.Cl
• PubChem CID: 9799856
• Molecular Weight: 377.27

Taxonomic Classification

Taxonomy Tree

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

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

Chemical and Physical Properties

• Solubility: Solvent:water, Max Conc. mg/mL: 18.86, Max Conc. mM: 50; Solvent:DMSO, Max Conc. mg/mL: 18.86, Max Conc. mM: 50
• Sensitivity: light sensitive；Moisture sensitive
• Molecular Weight: 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

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