8-Hydroxy-7-(6-sulfo-naphthalen-2-ylazo)-quinoline-5-sulfonic acid

Base Information

• Chemical Name: 8-Hydroxy-7-(6-sulfo-naphthalen-2-ylazo)-quinoline-5-sulfonic acid
• CAS No.: 56990-57-9
• Molecular Formula: C19H13 N3 O7 S2
• Molecular Weight: 459.45
• European Community (EC) Number: 637-218-6
• NSC Number: 87877
• DSSTox Substance ID: DTXSID90866596
• Nikkaji Number: J2.702.611G
• Wikidata: Q27166834
• Pharos Ligand ID: F269ZY7TBF7X
• ChEMBL ID: CHEMBL472004,CHEMBL1208151,CHEMBL1404918
• Mol file: 56990-57-9.mol

Synonyms:8-hydroxy-7-(6-sulfonaphthalen-2-yl)diazenyl-quinoline-5-sulfonic acid;NSC-87877

Chemical Property of 8-Hydroxy-7-(6-sulfo-naphthalen-2-ylazo)-quinoline-5-sulfonic acid

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 183.34000
• Density: 1.69g/cm³
• LogP: 6.16400
• Storage Temp.: Store at +4°C
• Solubility.: ≥45.9 mg/mL in DMSO; insoluble in EtOH; ≥16.6 mg/mL in H2O with ultrasonic
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 4
• Exact Mass: 459.01949211
• Heavy Atom Count: 31
• Complexity: 883

Purity/Quality:

99% ^*data from raw suppliers

NSC 87877 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C(C(=C2N=C1)O)N=NC3=CC4=C(C=C3)C=C(C=C4)S(=O)(=O)O)S(=O)(=O)O
• Uses: NSC 87877 is an inhibitor of SHP2 and SHP1 protein tyrosine phosphatases