SML0213
MC2050 hydrate
≥98% (HPLC)
Synonym(s):
2-[2-(4-(2-pyridyl)-1-piperazinyl)ethylsulfanyl]-3H-quinazolin-4-one dihydrochloride hydrate
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About This Item
Empirical Formula (Hill Notation):
C19H21N5OS·2HCl · xH2O
Molecular Weight:
440.39 (anhydrous basis)
NACRES:
NA.77
PubChem Substance ID:
UNSPSC Code:
12352200
MDL number:
Assay:
≥98% (HPLC)
Form:
powder
Quality Segment
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
Application
MC2050 hydrate may be used in cell signaling studies.
Biochem/physiol Actions
MC2050 is a PARP-1 inhibitor
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.
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
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