MedKoo Cat#: 208190 | Name: NSC81111

Description:

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

NSC81111 displayed stronger antiproliferative activities than erlotinib with IC50 values between 0.95 and 17.71 μM against overexpressed EGFR-TK cancer cell lines: A431 and HeLa. Furthermore, calculations of the physicochemical properties suggest the compounds are drug-like and are potentially active orally.

Chemical Structure

NSC81111
NSC81111
CAS#1678-14-4

Theoretical Analysis

MedKoo Cat#: 208190

Name: NSC81111

CAS#: 1678-14-4

Chemical Formula: C19H16O4

Exact Mass: 308.1049

Molecular Weight: 308.33

Elemental Analysis: C, 74.01; H, 5.23; O, 20.76

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
NSC-81111, NS-C81111, N-SC81111
IUPAC/Chemical Name
2,6-Bis(4-methoxyphenyl)-4H-pyran-4-one
InChi Key
LECSSHUYKZKQDD-UHFFFAOYSA-N
InChi Code
InChI=1S/C19H16O4/c1-21-16-7-3-13(4-8-16)18-11-15(20)12-19(23-18)14-5-9-17(22-2)10-6-14/h3-12H,1-2H3
SMILES Code
O=C1C=C(C2=CC=C(OC)C=C2)OC(C3=CC=C(OC)C=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
To be determined
Shelf Life
>2 years if stored properly
Drug Formulation
To be determined
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 308.33 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
Jiwacharoenchai N, Saruengkhanphasit R, Niwetmarin W, Seetaha S, Choowongkomon K, Ruchirawat S, Eurtivong C. Discovery of potent antiproliferative agents from selected oxygen heterocycles as EGFR tyrosine kinase inhibitors from the U.S. National Cancer Institute database by in silico screening and bioactivity evaluation. Bioorg Med Chem Lett. 2022 Feb 15;58:128524. doi: 10.1016/j.bmcl.2021.128524. Epub 2022 Jan 4. PMID: 34995690.