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MedKoo Cat#: 125657 | Name: NDT-30805

Description:

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

NDT-30805 is a NLRP3 inflammasome inhibitor.

Chemical Structure

NDT-30805
NDT-30805
CAS#N/A

Theoretical Analysis

MedKoo Cat#: 125657

Name: NDT-30805

CAS#: N/A

Chemical Formula: C23H22N6S

Exact Mass: 414.1600

Molecular Weight: 414.53

Elemental Analysis: C, 66.64; H, 5.35; N, 20.27; S, 7.73

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
NDT-30805; NDT30805; NDT 30805
IUPAC/Chemical Name
2-((1,2,3,5,6,7-hexahydro-s-indacen-4-yl)amino)-5-(pyridin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-7(4H)-thione
InChi Key
BHTLYBBOAZYXBF-UHFFFAOYSA-N
InChi Code
InChI=1S/C23H22N6S/c30-20-13-17(12-16-7-1-2-10-24-16)25-23-27-22(28-29(20)23)26-21-18-8-3-5-14(18)11-15-6-4-9-19(15)21/h1-2,7,10-11,13H,3-6,8-9,12H2,(H2,25,26,27,28)
SMILES Code
S=C1C=C(CC2=NC=CC=C2)NC3=NC(NC4=C5CCCC5=CC6=C4CCC6)=NN13
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 414.53 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
Harrison D, Bock MG, Doedens JR, Gabel CA, Holloway MK, Lewis A, Scanlon J, Sharpe A, Simpson ID, Smolak P, Wishart G, Watt AP. Discovery and Optimization of Triazolopyrimidinone Derivatives as Selective NLRP3 Inflammasome Inhibitors. ACS Med Chem Lett. 2022 Aug 1;13(8):1321-1328. doi: 10.1021/acsmedchemlett.2c00242. PMID: 35978696; PMCID: PMC9377005.