Indisulam

Base Information

• Chemical Name: Indisulam
• CAS No.: 165668-41-7
• Molecular Formula: C14H12ClN3O4S2
• Molecular Weight: 385.85
• Hs Code.: 2935009090
• UNII: WJ98J3NM90
• DSSTox Substance ID: DTXSID50168008
• Nikkaji Number: J1.186.068K
• Wikipedia: Indisulam
• Wikidata: Q27078056
• NCI Thesaurus Code: C25797
• Pharos Ligand ID: PCF474WSY8V5
• Metabolomics Workbench ID: 149755
• ChEMBL ID: CHEMBL77517
• Mol file: 165668-41-7.mol

Synonyms:E 7070;E-7070;E7070;indisulam;N-(3-chloro-7-indolyl)-1,4-benzenedisulfonamide;N-(3-chloro-7-indolyl)-1,4-benzenedisulphonamide

Chemical Property of Indisulam

Chemical Property:

• Vapor Pressure: 9.31E-18mmHg at 25°C
• Melting Point: 242-243 °C (decomp)(Solv: ethanol (64-17-5); water (7732-18-5))
• Refractive Index: 1.731
• Boiling Point: 668.9 °C at 760 mmHg
• PKA: 8.14±0.30(Predicted)
• Flash Point: 358.4 °C
• PSA: 138.88000
• Density: 1.663 g/cm³
• LogP: 5.20440
• Storage Temp.: -20°C
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 384.9957759
• Heavy Atom Count: 24
• Complexity: 651

Purity/Quality:

98%,99%, ^*data from raw suppliers

Indisulam ≥98%(HPLC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C(=C1)NS(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)N)NC=C2Cl
• Recent ClinicalTrials: E7070, Idarubicin and Cytarabine in Relapsed AML and High-Risk Myelodysplastic Syndromes
• Recent EU Clinical Trials: An open-label, randomized phase II study of the efficacy and safety of indisulam (E7070) in combination with capecitabine versus capecitabine monotherapy for the treatment of metastatic breast cancer patients following prior anthracycline and taxane therapy.