MedKoo Cat#: 121054 | Name: NIC-0102

Description:

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

NIC-0102 is an orally bioavailable proteasome inhibitor. NIC-0102 specifically prevents NLRP3 inflammasome activation but has no effect on NLRC4 or AIM2 inflammasomes. In vitro studies revealed that NIC-0102 induced the polyubiquitination of NLRP3, interfered with the NLRP3−ASC interaction, and blocked ASC oligomerization, thereby resulting in the inhibition of NLRP3 inflammasome activation. In addition, NIC-0102 also inhibited the production of pro-IL-1β. Importantly, NIC-0102 showed potent anti-inflammatory effects on DSS-induced ulcerative colitis model in vivo.

Chemical Structure

NIC-0102
NIC-0102
CAS#2806031-94-5

Theoretical Analysis

MedKoo Cat#: 121054

Name: NIC-0102

CAS#: 2806031-94-5

Chemical Formula: C21H25BF2N2O4

Exact Mass: 418.1875

Molecular Weight: 418.25

Elemental Analysis: C, 60.31; H, 6.03; B, 2.58; F, 9.08; N, 6.70; O, 15.30

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
NIC-0102; NIC0102; NIC 0102
IUPAC/Chemical Name
((R)-1-((S)-2-(2,6-difluorobenzamido)-3-phenylpropanamido)-3-methylbutyl)boronic acid
InChi Key
QTRFWSIBLJYXFJ-ROUUACIJSA-N
InChi Code
InChI=1S/C21H25BF2N2O4/c1-13(2)11-18(22(29)30)26-20(27)17(12-14-7-4-3-5-8-14)25-21(28)19-15(23)9-6-10-16(19)24/h3-10,13,17-18,29-30H,11-12H2,1-2H3,(H,25,28)(H,26,27)/t17-,18-/m0/s1
SMILES Code
FC1=C(C(N[C@@H](CC2=CC=CC=C2)C(N[C@H](B(O)O)CC(C)C)=O)=O)C(F)=CC=C1
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 418.25 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
Wu X, Sun P, Chen X, Hua L, Cai H, Liu Z, Zhang C, Liang S, Chen Y, Wu D, Ou Y, Hu W, Yang Z. Discovery of a Novel Oral Proteasome Inhibitor to Block NLRP3 Inflammasome Activation with Anti-inflammation Activity. J Med Chem. 2022 Sep 5. doi: 10.1021/acs.jmedchem.2c00523. Epub ahead of print. PMID: 36063115.