MC1742
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    WARNING: This product is for research use only, not for human or veterinary use.

MedKoo CAT#: 406658

CAS#: 1776116-74-5

Description: MC1742 is a novel and selective HDAC inhibitor with potential anticancer activity. Musculoskeletal sarcomas are aggressive malignancies of bone and soft tissues often affecting children and adolescents. Histone deacetylase inhibitors (HDACi) have been proposed to counteract cancer stem cells (CSCs) in solid neoplasms. When tested in human osteosarcoma, rhabdomyosarcoma, and Ewing's sarcoma stem cells, the new HDACi MC1742 increased acetyl-H3 and acetyl-tubulin levels and inhibited CSC growth by apoptosis induction. At nontoxic doses, 1 promoted osteogenic differentiation. (copied from J Med Chem. 2015 Apr 30. [Epub ahead of print].


Chemical Structure

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MC1742
CAS# 1776116-74-5

Theoretical Analysis

MedKoo Cat#: 406658
Name: MC1742
CAS#: 1776116-74-5
Chemical Formula: C21H21N3O3S
Exact Mass: 395.13
Molecular Weight: 395.477
Elemental Analysis: C, 63.78; H, 5.35; N, 10.63; O, 12.14; S, 8.11

Price and Availability

Size Price Availability Quantity
5mg USD 350 2 Weeks
10mg USD 650 2 weeks
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Synonym: MC-1742; MC 1742; MC1742.

IUPAC/Chemical Name: 5-((4-([1,1'-biphenyl]-4-yl)-6-oxo-1,6-dihydropyrimidin-2-yl)thio)-N-hydroxypentanamide

InChi Key: AOFVDNFTELWRHV-UHFFFAOYSA-N

InChi Code: InChI=1S/C21H21N3O3S/c25-19(24-27)8-4-5-13-28-21-22-18(14-20(26)23-21)17-11-9-16(10-12-17)15-6-2-1-3-7-15/h1-3,6-7,9-12,14,27H,4-5,8,13H2,(H,24,25)(H,22,23,26)

SMILES Code: O=C1NC(SCCCCC(NO)=O)=NC(C(C=C2)=CC=C2C3=CC=CC=C3)=C1

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, not in water

Shelf Life: >2 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: MC1742 is a potent HDAC inhibitor, with IC50s of 0.1 μM, 0.11 μM, 0.02 μM, 0.007 μM, 0.61 μM, 0.04 μM and 0.1 μM for HDAC1, HDAC2, HDAC3, HDAC6, HDAC8, HDAC10 and HDAC11.
In vitro activity: When tested in human osteosarcoma, rhabdomyosarcoma, and Ewing's sarcoma stem cells, the new HDACi MC1742 (1) and MC2625 (2) increased acetyl-H3 and acetyl-tubulin levels and inhibited CSC growth by apoptosis induction. At nontoxic doses, 1 promoted osteogenic differentiation. Reference: J Med Chem. 2015 May 14;58(9):4073-9. https://pubmed.ncbi.nlm.nih.gov/25905694/
In vivo activity: TBD

Solubility Data

Solvent Max Conc. mg/mL Max Conc. mM
Solubility
DMSO 39.6 100.00

Preparing Stock Solutions

The following data is based on the product molecular weight 395.48 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: 1. Mouveaux T, Rotili D, Boissavy T, Roger E, Pierrot C, Mai A, Gissot M. A potent HDAC inhibitor blocks Toxoplasma gondii tachyzoite growth and profoundly disrupts parasite gene expression. Int J Antimicrob Agents. 2022 Mar;59(3):106526. doi: 10.1016/j.ijantimicag.2022.106526. Epub 2022 Jan 15. PMID: 35041939. 2. Di Pompo G, Salerno M, Rotili D, Valente S, Zwergel C, Avnet S, Lattanzi G, Baldini N, Mai A. Novel histone deacetylase inhibitors induce growth arrest, apoptosis, and differentiation in sarcoma cancer stem cells. J Med Chem. 2015 May 14;58(9):4073-9. doi: 10.1021/acs.jmedchem.5b00126. Epub 2015 Apr 30. PMID: 25905694.
In vitro protocol: 1. Mouveaux T, Rotili D, Boissavy T, Roger E, Pierrot C, Mai A, Gissot M. A potent HDAC inhibitor blocks Toxoplasma gondii tachyzoite growth and profoundly disrupts parasite gene expression. Int J Antimicrob Agents. 2022 Mar;59(3):106526. doi: 10.1016/j.ijantimicag.2022.106526. Epub 2022 Jan 15. PMID: 35041939. 2. Di Pompo G, Salerno M, Rotili D, Valente S, Zwergel C, Avnet S, Lattanzi G, Baldini N, Mai A. Novel histone deacetylase inhibitors induce growth arrest, apoptosis, and differentiation in sarcoma cancer stem cells. J Med Chem. 2015 May 14;58(9):4073-9. doi: 10.1021/acs.jmedchem.5b00126. Epub 2015 Apr 30. PMID: 25905694.
In vivo protocol: TBD

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1: Di Pompo G, Salerno M, Rotili D, Valente S, Zwergel C, Avnet S, Lattanzi G, Baldini N, Mai A. Novel Histone Deacetylase Inhibitors Induce Growth Arrest, Apoptosis, and Differentiation in Sarcoma Cancer Stem Cells. J Med Chem. 2015 Apr 30. [Epub ahead of print] PubMed PMID: 25905694.