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MedKoo Cat#: 561388 | Name: DCE_42

Description:

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

DCE_42 is a novel EZH2 inhibitor that also displays significant anti-proliferation activity against lymphoma cell lines.

Chemical Structure

DCE_42
DCE_42
CAS#669749-45-5

Theoretical Analysis

MedKoo Cat#: 561388

Name: DCE_42

CAS#: 669749-45-5

Chemical Formula: C22H19N9O2S

Exact Mass: 473.1382

Molecular Weight: 473.52

Elemental Analysis: C, 55.80; H, 4.04; N, 26.62; O, 6.76; S, 6.77

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Related CAS #
No Data
Synonym
DCE_42; DCE 42; DCE42; DCE-42;
IUPAC/Chemical Name
2-[(6-Methoxy-4-methyl-2-quinazolinyl)amino]-6-[[(1-phenyl-1H-tetrazol-5-yl)thio]methyl]-4(3H)-pyrimidinone
InChi Key
WPETYAZUCHPYIM-UHFFFAOYSA-N
InChi Code
InChI=1S/C22H19N9O2S/c1-13-17-11-16(33-2)8-9-18(17)25-20(23-13)27-21-24-14(10-19(32)26-21)12-34-22-28-29-30-31(22)15-6-4-3-5-7-15/h3-11H,12H2,1-2H3,(H2,23,24,25,26,27,32)
SMILES Code
O=C1NC(NC2=NC(C)=C3C=C(OC)C=CC3=N2)=NC(CSC4=NN=NN4C5=CC=CC=C5)=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
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

Preparing Stock Solutions

The following data is based on the product molecular weight 473.52 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
1: Wu Y, Hu J, Ding H, Chen L, Zhang Y, Liu R, Xu P, Du D, Lu W, Liu J, Liu Y, Liu YC, Lu J, Zhang J, Yao Z, Luo C. Identification of novel EZH2 inhibitors through pharmacophore-based virtual screening and biological assays. Bioorg Med Chem Lett. 2016 Aug 1;26(15):3813-7. doi: 10.1016/j.bmcl.2016.05.018. Epub 2016 May 30. PubMed PMID: 27289323.