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SML0213

Sigma-Aldrich

MC2050 hydrate

≥98% (HPLC)

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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:
PubChem Substance ID:
NACRES:
NA.77

Quality Level

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

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This Item
SML0400PZ0159A8106
MC2050 hydrate ≥98% (HPLC)

Sigma-Aldrich

SML0213

MC2050 hydrate

ML204 ≥98% (HPLC)

Sigma-Aldrich

SML0400

ML204

form

powder

form

powder

form

powder

form

solid

color

white to beige

color

white to beige

color

white to tan

color

-

solubility

H2O: ≥5 mg/mL at warmed to 60 °C

solubility

DMSO: 5 mg/mL at warmed (clear solution)

solubility

H2O: ≥13 mg/mL

solubility

DMSO: >5 mg/mL, H2O: insoluble

storage temp.

2-8°C

storage temp.

2-8°C

storage temp.

room temp

storage temp.

2-8°C

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.

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable


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Articles

Agents reported to activate cellular caspases include chemotherapeutic drugs, TNF receptor agonists, and other enzymes. Inhibitors of apoptosis were the first identified endogenous caspase inhibitors.

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