Surfen dihydrochloride - ≥98%(HPLC) , CAS No.5424-37-3

CAS: 5424-37-3 Cat. No.: S286940 Molecular Weight: 445.35 PubChem CID: 79472

GRADE & PURITY ≥98%(HPLC)

Synonyms

AKOS030527176 | EINECS 226-566-0 | Tox21_110013 | 1,3-Bis(4-amino-2-methyl-6-quinolyl)urea dihydrochloride | DTXSID1045083 | NSC 12155 | MFCD00051734 | Surfen dihydrochloride | Aminoquincarbamide dihydrochloride | Luminor Yellow Green 490RT | P2YT71SUIU |

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Product Describtion:

Surfen dihydrochloride is a potent HS (heparan sulfate) antagonist. Surfen binds to glycosaminoglycans. Surfen neutralizes the anticoagulant activity of both unfractionated and low molecular weight heparins. Surfen affects sulfation of heparin and inhibits degradation by heparin lyases. Surfen inhibits FGF2 binding and signaling. Surfen inhibits cell attachment, and virus infection.

Specifications

Synonyms

AKOS030527176 | EINECS 226-566-0 | Tox21_110013 | 1, 3-Bis(4-amino-2-methyl-6-quinolyl)urea dihydrochloride | DTXSID1045083 | NSC 12155 | MFCD00051734 | Surfen dihydrochloride | Aminoquincarbamide dihydrochloride | Luminor Yellow Green 490RT | P2YT71SUIU |

Specifications & Purity

≥98%(HPLC)

Biochemical and Physiological Mechanisms

Heparan sulfate antagonist. Inhibits heparan sulfate-mediated cell attachmentin vitro. Maintains hESCs in a pluripotent state by reversible inhibition of glycan-growth factor interactions.

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Purity

≥98%(HPLC)

Names and Identifiers

• Pubchem Sid: 504755377
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755377
• Canonical Smiles: CC1=CC(=C2C=C(C=CC2=N1)NC(=O)NC3=CC4=C(C=C(N=C4C=C3)C)N)N.Cl.Cl
• IUPAC Name: 1,3-bis(4-amino-2-methylquinolin-6-yl)urea;dihydrochloride
• InChIKey: GKQYGRWQCWWSHN-UHFFFAOYSA-N
• INCHI: 1S/C21H20N6O.2ClH/c1-11-7-17(22)15-9-13(3-5-19(15)24-11)26-21(28)27-14-4-6-20-16(10-14)18(23)8-12(2)25-20;;/h3-10H,1-2H3,(H2,22,24)(H2,23,25)(H2,26,27,28);2*1H
• Isomeric SMILES: CC1=CC(=C2C=C(C=CC2=N1)NC(=O)NC3=CC4=C(C=C(N=C4C=C3)C)N)N.Cl.Cl
• PubChem CID: 79472
• Molecular Weight: 445.35

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Quinolines and derivatives
      • Subclass Aminoquinolines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Quinolines and derivatives
• Subclass: Aminoquinolines and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: 4-aminoquinolines
• Alternative Parents: Methylpyridines Aminopyridines and derivatives Benzenoids Heteroaromatic compounds Ureas Azacyclic compounds Primary amines Organopnictogen compounds Organic oxides Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 4-aminoquinoline - Aminopyridine - Methylpyridine - Pyridine - Benzenoid - Heteroaromatic compound - Urea - Carbonic acid derivative - Azacycle - Organic oxygen compound - Hydrocarbon derivative - Hydrochloride - Organic nitrogen compound - Amine - Primary amine - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic oxide - Organopnictogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as 4-aminoquinolines. These are organic compounds containing an amino group attached to the 4-position of a quinoline ring system.
• 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

Associated Targets(Human)

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Solvent:water, Max Conc. mg/mL: 8.91, Max Conc. mM: 20; Solvent:DMSO, Max Conc. mg/mL: 8.91, Max Conc. mM: 20
• Sensitivity: light sensitive；Moisture sensitive.
• Molecular Weight: 445.300 g/mol
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 444.123 Da
• Monoisotopic Mass: 444.123 Da
• Topological Polar Surface Area: 119.000 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 513.000
• 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