S6821

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

MedKoo CAT#: 593184

CAS#: 1119831-25-2

Description: S6821 is a TAS2R8 antagonist. S6821 was not found to be mutagenic or clastogenic in vitro, and did not induce micronuclei in bone marrow polychromatic erythrocytes in vivo.


Chemical Structure

img
S6821
CAS# 1119831-25-2

Theoretical Analysis

MedKoo Cat#: 593184
Name: S6821
CAS#: 1119831-25-2
Chemical Formula: C19H19N5O4
Exact Mass: 381.1437
Molecular Weight: 381.392
Elemental Analysis: C, 59.84; H, 5.02; N, 18.36; O, 16.78

Price and Availability

This product is not in stock, which may be available by custom synthesis. For cost-effective reason, minimum order is 1g (price is usually high, lead time is 2~3 months, depending on the technical challenge). Quote less than 1g will not be provided. To request quote, please email to sales @medkoo.com or click below button.
Note: Price will be listed if it is available in the future.

Request quote for custom synthesis

Synonym: S6821; S-6821; S 6821

IUPAC/Chemical Name: 3-(1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)-1-(3-hydroxybenzyl) Imidazolidine-2,4-dione

InChi Key: 3-(1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)-1-(3-hydroxybenzyl) Imidazolidine-2,4-dione

InChi Code: 3-(1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)-1-(3-hydroxybenzyl) Imidazolidine-2,4-dione

SMILES Code: O=C1N(C2=CN(CC3=C(C)ON=C3C)N=C2)C(CN1CC4=CC=CC(O)=C4)=O

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

Preparing Stock Solutions

The following data is based on the product molecular weight 381.392 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

Molarity Calculator

Calculate the mass, volume, or concentration required for a solution.
=
x
x
g/mol

*When preparing stock solutions always use the batch-specific molecular weight of the product found on the vial label and SDS / CoA (available online).

Reconstitution Calculator

The reconstitution calculator allows you to quickly calculate the volume of a reagent to reconstitute your vial. Simply enter the mass of reagent and the target concentration and the calculator will determine the rest.

=
÷

Dilution Calculator

Calculate the dilution required to prepare a stock solution.
x
=
x

1: Fotsing JR, Darmohusodo V, Patron AP, Ching BW, Brady T, Arellano M, Chen Q, Davis TJ, Liu H, Servant G, Zhang L, Williams M, Saganich M, Ditschun T, Tachdjian C, Karanewsky DS. Discovery and Development of S6821 and S7958 as Potent TAS2R8 Antagonists. J Med Chem. 2020 Apr 24. doi: 10.1021/acs.jmedchem.0c00388. [Epub ahead of print] PubMed PMID: 32330040.

2: Karanewsky DS, Arthur AJ, Liu H, Chi B, Ida L, Markison S. Toxicological evaluation of two novel bitter modifying flavour compounds: 3-(1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)-1-(3-hydroxybenzyl)imid azolidine-2,4-dione and 3-(1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)-1-(3-hydroxybenzyl)-5,5 -dimethylimidazolidine-2,4-dione. Toxicol Rep. 2016 Feb 28;3:310-327. doi:10.1016/j.toxrep.2016.02.007. eCollection 2016. PubMed PMID: 28959552; PubMed Central PMCID: PMC5615838.