SML0213

MC2050 hydrate

≥98% (HPLC)

• Synonym(s): 2-[2-(4-(2-pyridyl)-1-piperazinyl)ethylsulfanyl]-3H-quinazolin-4-one dihydrochloride hydrate
• Empirical Formula (Hill Notation): C₁₉H₂₁N₅OS·2HCl · xH₂O
• Molecular Weight: 440.39 (anhydrous basis)
• MDL number: MFCD21608523
• UNSPSC Code: 12352200
• PubChem Substance ID: 329825234
• NACRES: NA.77

Properties

• Quality Level: 100
• assay: ≥98% (HPLC)
• form: powder
• color: white to beige
• solubility: H₂O: ≥5 mg/mL at warmed to 60 °C
• storage temp.: 2-8°C
• SMILES string: O.Cl.Cl.O=C1NC(SCCN2CCN(CC2)c3ccccn3)=Nc4ccccc14
• InChI: 1S/C19H21N5OS.2ClH.H2O/c25-18-15-5-1-2-6-16(15)21-19(22-18)26-14-13-23-9-11-24(12-10-23)17-7-3-4-8-20-17;;;/h1-8H,9-14H2,(H,21,22,25);2*1H;1H2
• InChI key: LMZZPRHHBPFDGE-UHFFFAOYSA-N

Description

Application

MC2050 hydrate may be used in cell signaling studies.

Biochem/physiol Actions

MC2050 is a water-soluble PARP-1 inhibitor. The IC₅₀ for inhibition of PARP-1 activity is 119 nM, compared to 1.8 μM for PARP-2. MC2050 inhibits apoptosis and blocks poly ADP-ribosylation of histone H1 in hydrogen peroxide treated SH-SY5Y neuroblastoma cells.

Features and Benefits

This compound is featured on the Caspases page of the Handbook of Receptor Classification and Signal Transduction. To browse other handbook pages, click here.

Safety Information

• Storage Class: 11 - Combustible Solids
• wgk_germany: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable