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Merck
CN

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:
329825234
UNSPSC Code:
12352200
MDL number:
MFCD21608523
Assay:
≥98% (HPLC)
Form:
powder
Quality level:
100

Key Documents

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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

SMILES string

O.Cl.Cl.O=C1NC(SCCN2CCN(CC2)c3ccccn3)=Nc4ccccc14

InChI key

LMZZPRHHBPFDGE-UHFFFAOYSA-N

assay

≥98% (HPLC)

form

powder

color

white to beige

solubility

H2O: ≥5 mg/mL at warmed to 60 °C

storage temp.

2-8°C

Quality Level

100

Related Categories

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

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
0000081298
121M4602V

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Articles

Caspases Inhibitors and Activators

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.

半胱天冬酶抑制剂和活化剂

据报道可激活细胞半胱天冬酶的试剂包括化疗药物、TNF 受体激动剂和其他酶。细胞凋亡抑制剂是第一个确定的内源性半胱天冬酶抑制剂。

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