N-[3-(2,1,3-benzothiadiazol-5-ylamino)quinoxalin-2-yl]-4-methylbenzenesulfonamide

Base Information

• Chemical Name: N-[3-(2,1,3-benzothiadiazol-5-ylamino)quinoxalin-2-yl]-4-methylbenzenesulfonamide
• CAS No.: 956958-53-5
• Molecular Formula: C21H16N6O2S2
• Molecular Weight: 448.52
• European Community (EC) Number: 809-767-3
• DSSTox Substance ID: DTXSID10145779
• Nikkaji Number: J3.553.988C
• Wikidata: Q27088392
• Pharos Ligand ID: UNMS3BB8Y2Z7
• Metabolomics Workbench ID: 65879
• ChEMBL ID: CHEMBL3218575
• Mol file: 956958-53-5.mol

Synonyms:pilaralisib;SAR 245408;SAR245408;XL147

Chemical Property of N-[3-(2,1,3-benzothiadiazol-5-ylamino)quinoxalin-2-yl]-4-methylbenzenesulfonamide

Chemical Property:

• Vapor Pressure: 3.22E-16mmHg at 25°C
• Refractive Index: 1.772
• Boiling Point: 638.9 °C at 760 mmHg
• PKA: 6.71±0.30(Predicted)
• Flash Point: 340.2 °C
• PSA: 149.61000
• Density: 1.538 g/cm³
• LogP: 5.06300
• Solubility.: ≥22.45 mg/mL in DMSO with gentle warming; insoluble in H2O; insoluble in EtOH
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 5
• Exact Mass: 448.07761612
• Heavy Atom Count: 31
• Complexity: 711

Purity/Quality:

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

N-[3-(2,1,3-Benzothiadiazol-5-ylamino)-2-quinoxalinyl]-4-methylbenzenesulfonamide, ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2NC4=CC5=NSN=C5C=C4
• Recent ClinicalTrials: Study of XL147 (SAR245408) in Advanced or Recurrent Endometrial Carcinoma
• Recent EU Clinical Trials: A Phase 1/2 Study of XL147 Administered in Combination with Trastuzumab or Paclitaxel and
• Description: XL147 analog is an analog of XL147 .
• Uses: XL147 analogue is one of Pyrimidine derivatives as JAK-2 inhibitors in combination with other agents and their use in the treatment of diseases.