Synonym
NIK SMI1; NIKSMI1; NIK-SMI1;
IUPAC/Chemical Name
(R)-6-(3-((3-Hydroxy-1-methyl-2-oxopyrrolidin-3-yl)ethynyl)phenyl)-4-methoxypicolinamide
InChi Key
LQSHXYHWYGKAMX-FQEVSTJZSA-N
InChi Code
InChI=1S/C20H19N3O4/c1-23-9-8-20(26,19(23)25)7-6-13-4-3-5-14(10-13)16-11-15(27-2)12-17(22-16)18(21)24/h3-5,10-12,26H,8-9H2,1-2H3,(H2,21,24)/t20-/m0/s1
SMILES Code
O=C(N)C1=NC(C2=CC=CC(C#C[C@@]3(O)C(N(C)CC3)=O)=C2)=CC(OC)=C1
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
Biological target:
NIK SMI1 is a potent, selective NF-κB inducing kinase (NIK) inhibitor.
In vitro activity:
This study found that the administration of NIK-SMI1 strongly inhibited the RANKL-stimulated non-canonical NF-κB signaling as demonstrated by decreased nuclear p52 expression and activity. Blocking NIK activity also resulted in reduced osteoclasts specific genes expression and enhanced IFN-β expression.
Reference: Pathog Dis. 2020 Oct 7;78(7):ftaa045. https://pubmed.ncbi.nlm.nih.gov/32860691/
In vivo activity:
NIK-SMI1 treatment resulted in attenuated periodontitis progression and pro-inflammatory cytokines expression in vivo. This study suggested that NIK-SMI1 exerts beneficial effects on the mitigation of osteoclastogenesis in vitro and periodontitis progression in vivo.
Reference: Pathog Dis. 2020 Oct 7;78(7):ftaa045. https://pubmed.ncbi.nlm.nih.gov/32860691/
|
Solvent |
mg/mL |
mM |
comments |
| Solubility |
| DMSO |
99.0 |
270.94 |
|
Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.
Preparing Stock Solutions
The following data is based on the
product
molecular weight
365.39
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.
| 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 |
Formulation protocol:
Wang J, Wang B, Lv X, Wang L. NIK inhibitor impairs chronic periodontitis via suppressing non-canonical NF-κB and osteoclastogenesis. Pathog Dis. 2020 Oct 7;78(7):ftaa045. doi: 10.1093/femspd/ftaa045. PMID: 32860691.
In vitro protocol:
Wang J, Wang B, Lv X, Wang L. NIK inhibitor impairs chronic periodontitis via suppressing non-canonical NF-κB and osteoclastogenesis. Pathog Dis. 2020 Oct 7;78(7):ftaa045. doi: 10.1093/femspd/ftaa045. PMID: 32860691.
In vivo protocol:
Wang J, Wang B, Lv X, Wang L. NIK inhibitor impairs chronic periodontitis via suppressing non-canonical NF-κB and osteoclastogenesis. Pathog Dis. 2020 Oct 7;78(7):ftaa045. doi: 10.1093/femspd/ftaa045. PMID: 32860691.
1: Sun Y, Li B, Song B, Xia Y, Zhou X, Lin F, Rao T, Cheng F. CREB1/CRTC2 regulated tubular epithelial-derived exosomal miR-93-3p promotes kidney injury induced by calcium oxalate via activating M1 polarization and macrophage extracellular trap formation. J Nanobiotechnology. 2025 Mar 12;23(1):204. doi: 10.1186/s12951-025-03246-9. PMID: 40069788; PMCID: PMC11900527.
2: Zhang K, Tang Y, Yu H, Yang J, Tao L, Xiang P. Discovery of lupus nephritis targeted inhibitors based on De novo molecular design: comprehensive application of vinardo scoring, ADMET analysis, and molecular dynamics simulation. J Biomol Struct Dyn. 2024 Mar 19:1-14. doi: 10.1080/07391102.2024.2329293. Epub ahead of print. PMID: 38501728.
3: Luo Z, Wei H, Li X. Granulocyte-macrophage colony-stimulating factor suppresses induction of type I interferon in infants with severe pneumonia. Pediatr Res. 2023 Jan;93(1):72-77. doi: 10.1038/s41390-022-02059-y. Epub 2022 Apr 12. PMID: 35414668.
4: Wang J, Wang B, Lv X, Wang L. NIK inhibitor impairs chronic periodontitis via suppressing non-canonical NF-κB and osteoclastogenesis. Pathog Dis. 2020 Oct 7;78(7):ftaa045. doi: 10.1093/femspd/ftaa045. PMID: 32860691.
