MedKoo Cat#: 127664 | Name: CIB-1476

Description:

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

CIB-1476 is a caspase-1 inhibitor. CIB-1476 potently inhibited caspase-1 activity and suppressed the assembly and activation of the NLRP3 inflammasome and gasdermin-Dmediated pyroptosis. Mechanistically, CIB-1476 directly targeted pro-caspase-1 as an irreversible covalent inhibitor by binding to Cys285 and Cys397, resulting in more durable anti-inflammatory effects in the suppression of enzyme-dependent IL-1β production and enzyme-independent nuclear factor κB activation. Chemoproteomic profiling demonstrated the engagement of CIB-1476 with caspase-1. CIB-1476 showed potent therapeutic effects by suppressing inflammasome activation in mice, which was abolished in Casp1−/− mice.

Chemical Structure

CIB-1476
CIB-1476
CAS#N/A

Theoretical Analysis

MedKoo Cat#: 127664

Name: CIB-1476

CAS#: N/A

Chemical Formula: C28H28N2O6S

Exact Mass: 520.1668

Molecular Weight: 520.60

Elemental Analysis: C, 64.60; H, 5.42; N, 5.38; O, 18.44; S, 6.16

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
CIB-1476; CIB 1476; CIB1476
IUPAC/Chemical Name
1'-benzyl 6-(tert-butyl) 4-isothiocyanato-5'-methoxy-2'-oxospiro[cyclohexane-1,3'-indolin]-2-ene-1',6-dicarboxylate
InChi Key
MGTBQGASSXHDDJ-UHFFFAOYSA-N
InChi Code
InChI=1S/C28H28N2O6S/c1-27(2,3)36-24(31)22-14-19(29-17-37)12-13-28(22)21-15-20(34-4)10-11-23(21)30(25(28)32)26(33)35-16-18-8-6-5-7-9-18/h5-13,15,19,22H,14,16H2,1-4H3
SMILES Code
O=C1N(C(OCC2=CC=CC=C2)=O)C3=CC=C(OC)C=C3C41C(C(OC(C)(C)C)=O)CC(N=C=S)C=C4
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 520.60 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
Cao D, Xi R, Li H, Zhang Z, Shi X, Li S, Jin Y, Liu W, Zhang G, Liu X, Dong S, Feng X, Wang F. Discovery of a Covalent Inhibitor of Pro-Caspase-1 Zymogen Blocking NLRP3 Inflammasome Activation and Pyroptosis. J Med Chem. 2024 Aug 19. doi: 10.1021/acs.jmedchem.4c01558. Epub ahead of print. PMID: 39159426.