MC2050 HCl
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MedKoo CAT#: 555720

CAS#: 1301757-19-6 (HCl)

Description: MC2050 is a potent 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.


Chemical Structure

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MC2050 HCl
CAS# 1301757-19-6 (HCl)

Theoretical Analysis

MedKoo Cat#: 555720
Name: MC2050 HCl
CAS#: 1301757-19-6 (HCl)
Chemical Formula: C19H23Cl2N5OS
Exact Mass: 0.00
Molecular Weight: 440.387
Elemental Analysis: C, 51.82; H, 5.26; Cl, 16.10; N, 15.90; O, 3.63; S, 7.28

Price and Availability

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5mg USD 385 Ready to ship
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Related CAS #: 1301601-24-0 (free base)   1301757-19-6 (HCl)    

Synonym: MC2050 HCl; MC2050 hydrochloride; MC2050; MC-2050; MC 2050;

IUPAC/Chemical Name: 2-[2-(4-(2-pyridyl)-1-piperazinyl)ethylsulfanyl]-3H-quinazolin-4-one dihydrochloride

InChi Key: LGUFWJGLDSDLAW-UHFFFAOYSA-N

InChi Code: InChI=1S/C19H21N5OS.2ClH/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

SMILES Code: O=C1NC(SCCN2CCN(C3=NC=CC=C3)CC2)=NC4=C1C=CC=C4.[H]Cl.[H]Cl

Appearance: Solid powder

Purity: >98% (or refer to the Certificate of Analysis)

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility: Soluble in DMSO

Shelf Life: >3 years if stored properly

Drug Formulation: This drug may be formulated in DMSO

Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code: 2934.99.9001

More Info:

Product Data:
Biological target: MC2050 is a potent PARP-1 inhibitor.
In vitro activity: To elucidate the role of PARP-1 in the neurodegenerative process, SH-SY5Y neuroblastoma cells were treated with Aβ25-35 fragment in the presence or absence of MC2050, a new PARP-1 inhibitor. Aβ25-35 induces an enhancement of PARP activity which is prevented by cell pre-treatment with MC2050. These data were confirmed by measuring PARP-1 activity in CHO cells transfected with amylod precursor protein and in vivo in brains specimens of TgCRND8 transgenic mice overproducing the amyloid peptide. Reference: PLoS One. 2013 Sep 24;8(9):e72169. https://pubmed.ncbi.nlm.nih.gov/24086258/
In vivo activity: To elucidate the role of PARP-1 in the neurodegenerative process, SH-SY5Y neuroblastoma cells were treated with Aβ25-35 fragment in the presence or absence of MC2050, a new PARP-1 inhibitor. Aβ25-35 induces an enhancement of PARP activity which is prevented by cell pre-treatment with MC2050. These data were confirmed by measuring PARP-1 activity in CHO cells transfected with amylod precursor protein and in vivo in brains specimens of TgCRND8 transgenic mice overproducing the amyloid peptide. Reference: PLoS One. 2013 Sep 24;8(9):e72169. https://pubmed.ncbi.nlm.nih.gov/24086258/

Preparing Stock Solutions

The following data is based on the product molecular weight 440.39 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
Formulation protocol: Martire S, Fuso A, Rotili D, Tempera I, Giordano C, De Zottis I, Muzi A, Vernole P, Graziani G, Lococo E, Faraldi M, Maras B, Scarpa S, Mosca L, d'Erme M. PARP-1 modulates amyloid beta peptide-induced neuronal damage. PLoS One. 2013 Sep 24;8(9):e72169. doi: 10.1371/journal.pone.0072169. PMID: 24086258; PMCID: PMC3782458.
In vitro protocol: Martire S, Fuso A, Rotili D, Tempera I, Giordano C, De Zottis I, Muzi A, Vernole P, Graziani G, Lococo E, Faraldi M, Maras B, Scarpa S, Mosca L, d'Erme M. PARP-1 modulates amyloid beta peptide-induced neuronal damage. PLoS One. 2013 Sep 24;8(9):e72169. doi: 10.1371/journal.pone.0072169. PMID: 24086258; PMCID: PMC3782458.
In vivo protocol: Martire S, Fuso A, Rotili D, Tempera I, Giordano C, De Zottis I, Muzi A, Vernole P, Graziani G, Lococo E, Faraldi M, Maras B, Scarpa S, Mosca L, d'Erme M. PARP-1 modulates amyloid beta peptide-induced neuronal damage. PLoS One. 2013 Sep 24;8(9):e72169. doi: 10.1371/journal.pone.0072169. PMID: 24086258; PMCID: PMC3782458.

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1: Mosca L, Rotili D, Tempera I, Masci A, Fontana M, Chiaraluce R, Mastromarino P, d'Erme M, Mai A. Biological effects of MC2050, a quinazoline-based PARP-1 inhibitor, in human neuroblastoma and EBV-positive Burkitt's lymphoma cells. ChemMedChem. 2011 Apr 4;6(4):606-11. doi: 10.1002/cmdc.201000536. Epub 2011 Mar 1. PMID: 21365766.

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