3-Deazaneplanocin

Base Information

• Chemical Name: 3-Deazaneplanocin
• CAS No.: 102052-95-9
• Molecular Formula: C12H14N4O3
• Molecular Weight: 262.264560
• European Community (EC) Number: 695-599-4
• UNII: 544SH4020S
• DSSTox Substance ID: DTXSID30144562
• Nikkaji Number: J412.168F
• Wikipedia: 3-Deazaneplanocin_A
• Wikidata: Q15410156
• Pharos Ligand ID: QBMZLP9JWG2N
• ChEMBL ID: CHEMBL154745
• Mol file: 102052-95-9.mol

Synonyms:3-deaza-neplanocin;3-deazaneplanocin;3-deazaneplanocin A;DZNep

Chemical Property of 3-Deazaneplanocin

Chemical Property:

• Vapor Pressure: 1.94E-16mmHg at 25°C
• Refractive Index: 1.816
• Boiling Point: 624.1 °C at 760 mmHg
• PKA: 13.52±0.70(Predicted)
• Flash Point: 331.2 °C
• PSA: 97.19000
• Density: 1.75 g/cm³
• LogP: 1.20760
• Storage Temp.: = -70C
• Solubility.: Soluble in DMSO (up to 20 mg/ml)
• XLogP3: -1.7
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 262.10659032
• Heavy Atom Count: 19
• Complexity: 378

Purity/Quality:

99%, ^*data from raw suppliers

InSolution EZH2 Inhibitor, DZNep - CAS 102052-95-9 - Calbiochem ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN=C(C2=C1N(C=N2)C3C=C(C(C3O)O)CO)N
• Isomeric SMILES: C1=CN=C(C2=C1N(C=N2)[C@@H]3C=C([C@H]([C@H]3O)O)CO)N
• Description: DZNep (102052-95-9) is a potent histone methyltransferase inhibitor which decreases global histone methylation.1?Inhibits trimethylation of H3K27 and H4K20?in vitro.1?Selectively induces apoptosis in multiple cancer cell lines with no effect on normal cells.2?DZNep may be used in cocktails to chemically induce pluripotent stem cells (CiPSCs) from somatic cells.3?Enhances angiogenesis in a mouse model of limb ischemia.4