(E)-N-(5-Methyl-1H-pyrazol-3-yl)-6-(4-methylpiperazin-1-yl)-2-styrylpyrimidin-4-amine

Base Information

• Chemical Name: (E)-N-(5-Methyl-1H-pyrazol-3-yl)-6-(4-methylpiperazin-1-yl)-2-styrylpyrimidin-4-amine
• CAS No.: 934353-76-1
• Molecular Formula: C21H25N7
• Molecular Weight: 525.56
• UNII: J6U9WP10T7
• ChEMBL ID: CHEMBL482968
• DSSTox Substance ID: DTXSID60239430
• Nikkaji Number: J3.608.466I
• Pharos Ligand ID: WDZAYDA7VGX6
• Wikidata: Q27077188
• Mol file: 934353-76-1.mol

Synonyms:ENMD 2076;ENMD-2076;ENMD2076

Chemical Property of (E)-N-(5-Methyl-1H-pyrazol-3-yl)-6-(4-methylpiperazin-1-yl)-2-styrylpyrimidin-4-amine

Chemical Property:

• Boiling Point: 535 °C at 760 mmHg
• Flash Point: 277.4 °C
• PSA: 76.20000
• Density: 1.267 g/cm³
• LogP: 2.59870
• Solubility.: insoluble in H2O; ≥18.75 mg/mL in DMSO; ≥2.55 mg/mL in EtOH with ultrasonic
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 375.21714383
• Heavy Atom Count: 28
• Complexity: 499

Purity/Quality:

99% ^*data from raw suppliers

(E)-N-(5-Methyl-1H-pyrazol-3-yl)-6-(4-methylpiperazin-1-yl)-2-styrylpyrimidin-4-amine 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=NN1)NC2=CC(=NC(=N2)C=CC3=CC=CC=C3)N4CCN(CC4)C
• Isomeric SMILES: CC1=CC(=NN1)NC2=CC(=NC(=N2)/C=C/C3=CC=CC=C3)N4CCN(CC4)C
• Recent ClinicalTrials: Study of ENMD-2076 in Patients With Advanced/Metastatic Soft Tissue Sarcoma
• Description: ENMD-2076 has selective activity against Aurora A and Flt3 with IC50 of 14 nM and 1.86 nM, 25-fold selective for Aurora A than over Aurora B and less potent to VEGFR2/KDR and VEGFR3, FGFR1 and FGFR2 and PDGFRα. Phase 2.