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MedKoo Cat#: 130531 | Name: MRS4853

Description:

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

MRS4853 is a novel human P2Y6 receptor antagonist (IC50 0.46 µM).

Chemical Structure

MRS4853
MRS4853
CAS#MRS4853

Theoretical Analysis

MedKoo Cat#: 130531

Name: MRS4853

CAS#: MRS4853

Chemical Formula: C18H20F3NO3Si

Exact Mass: 383.1165

Molecular Weight: 383.44

Elemental Analysis: C, 56.38; H, 5.26; F, 14.86; N, 3.65; O, 12.52; Si, 7.32

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
MRS-4853, MRS 4853
IUPAC/Chemical Name
Triethyl((3-nitro-2-(trifluoromethyl)-2H-chromen-8-yl)ethynyl)silane
InChi Key
IHIRLDQLFPQTJC-UHFFFAOYSA-N
InChi Code
InChI=1S/C18H20F3NO3Si/c1-4-26(5-2,6-3)11-10-13-8-7-9-14-12-15(22(23)24)17(18(19,20)21)25-16(13)14/h7-9,12,17H,4-6H2,1-3H3
SMILES Code
FC(C1C([N+]([O-])=O)=CC2=C(O1)C(C#C[Si](CC)(CC)CC)=CC=C2)(F)F
Appearance
To be determined
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 383.44 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. Jung YH, Shah Q, Lewicki SA, Pramanik A, Gopinatth V, Pelletier J, Sévigny J, Iqbal J, Jacobson KA. Synthesis and pharmacological characterization of multiply substituted 2H-chromene derivatives as P2Y6 receptor antagonists. Bioorg Med Chem Lett. 2022 Nov 1;75:128981. doi: 10.1016/j.bmcl.2022.128981. Epub 2022 Sep 8. PMID: 36089113; PMCID: PMC9555146.