MedKoo Cat#: 127247 | Name: C878-1943

Description:

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

C878-1943 is an NLRP3 Inhibitor, which targets the LRR Domain to Disrupt NLRP3-NEK7 Interaction for the Treatment of Rheumatoid Arthritis.

Chemical Structure

C878-1943
C878-1943
CAS#N/A

Theoretical Analysis

MedKoo Cat#: 127247

Name: C878-1943

CAS#: N/A

Chemical Formula: C25H25FN4O2S

Exact Mass: 464.1682

Molecular Weight: 464.56

Elemental Analysis: C, 64.64; H, 5.42; F, 4.09; N, 12.06; O, 6.89; S, 6.90

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
C878-1943; C878-1943; C878-1943
IUPAC/Chemical Name
4-((2-((4-fluorobenzyl)thio)-3H-imidazo[4,5-c]pyridin-3-yl)methyl)-N-(3-methoxypropyl)benzamide
InChi Key
WRGHPWIPDPNHPF-UHFFFAOYSA-N
InChi Code
InChI=1S/C25H25FN4O2S/c1-32-14-2-12-28-24(31)20-7-3-18(4-8-20)16-30-23-15-27-13-11-22(23)29-25(30)33-17-19-5-9-21(26)10-6-19/h3-11,13,15H,2,12,14,16-17H2,1H3,(H,28,31)
SMILES Code
FC(C=C1)=CC=C1CSC2=NC3=C(N2CC4=CC=C(C(NCCCOC)=O)C=C4)C=NC=C3
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 464.56 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
Li BY, Li P, Wei LY, Zou J, Wang YH, You QD, Jiang C, Di B, Xu LL. Discovery and Development of NLRP3 Inhibitors Targeting the LRR Domain to Disrupt NLRP3-NEK7 Interaction for the Treatment of Rheumatoid Arthritis. J Med Chem. 2024 Jun 18. doi: 10.1021/acs.jmedchem.3c02407. Epub ahead of print. PMID: 38888047.