Cat. No.: HY-112433

NIK SMI1

16 Cited Publications

Customer Review

Based on 16 publication(s) in Google Scholar

NIK SMI1 is a potent, selective NF-κB inducing kinase (NIK) inhibitor, which inhibits NIK-catalyzed hydrolysis of ATP to ADP with IC₅₀ of 0.23±0.17 nM. NIK SMI1 is a click chemistry reagent, it contains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.

For research use only. We do not sell to patients.

Purity: 99.92%
CAS No.: 1660114-31-7
Formula: C₂₀H₁₉N₃O₄
Molecular Weight:365.38

Storage:

Powder -20°C, 3 years , 4°C, 2 years ; In solvent -80°C, 1 year , -20°C, 6 months

NIK SMI1 Chemical Structure

CAS No.: 1660114-31-7

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Top Publications Citing

Use of MCE Products

Fluorescent Dye

Strong Fluorescence Signal / Multi-Disciplinary Applications / High Fluorescence Specificity

Biological Activity
- Description
- IC₅₀ & Target
- Cellular Effect
- In Vitro
- In Vivo
Chemical Information
Publications (16)
Solvent & Solubility
- In Vitro
- In Vivo
Protocol
Purity & Documentation
References
Help & FAQs
Classifications
Bioz

Biological Activity

Description

IC₅₀ & Target

NIK^[1]

All NF-κB Isoforms :

Cellular Effect

Cell Line	Type	Value	Description	References
B-cell line	IC₅₀	373 nM Compound: 4f	Inhibition of BAFF-stimulated mouse splenic B cell survival preincubated for 1 hr followed by BAFF stimulation measured after 4 days by Cell-Titer Glo assay Inhibition of BAFF-stimulated mouse splenic B cell survival preincubated for 1 hr followed by BAFF stimulation measured after 4 days by Cell-Titer Glo assay	[PMID: 29940120]

In Vitro

NIK SMI1 (Compound 4f) inhibits NIK-catalyzed hydrolysis of ATP to ADP (fluorescence polarization, FP) with an IC₅₀ of 0.23±0.17 nM. NIK SMI1 inhibits the expression of NIK SMI1 response elementregulated firefly luciferase reporter gene in HEK293 cells with an IC₅₀ of 34±6 nM. Consistent with expectations for a NIK inhibitor, NIK SMI1 is shown to inhibit nuclear translocation of p52 (RelB) (IC₅₀=70 nM). NIK SMI1 inhibits BAFF-induced B cell (mouse) survival in vitro with an IC₅₀ of 373±64 nM^[1].

MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.

In Vivo

C57BL/6 mice are treated twice daily for 7 days with orally administered NIK SMI1 or with three injections of recombinant BAFF receptor fusion protein (Br3- mIgG2a) over the course of the 7-day experiment as a positive control. The nonlinearity of exposure relative to dose between 100 and 200 mg/kg is a result of saturation of clearance mechanisms. The pharmacology of NIK SMI1 is examined in SD rat, CD-1 mouse, beagle, and cynomologous monkey with 20, 32, 18, and 7.8 mL/kg per min, respectively. Volume of distribution (Vd, L/kg) is 1.35, 1.58, 0.778, and 1.39, respectively^[1].

MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.

Chemical Information

CAS No. 1660114-31-7
Appearance Solid
Molecular Weight 365.38
Formula C₂₀H₁₉N₃O₄
Color Off-white to pink
SMILES

O=C(N)C1=NC(C2=CC=CC(C#C[C@]3(O)CCN(C)C3=O)=C2)=CC(OC)=C1
Shipping

Room temperature in continental US; may vary elsewhere.

Storage

Powder	-20°C	3 years
	4°C	2 years
In solvent	-80°C	1 year
	-20°C	6 months

Publications (16)

All WBBio/Physico-chemical Assay

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Journal Impact Factor

Signal Transduct Target Ther

Retinol Binding Protein 4 reactivates latent HIV-1 by triggering canonical NF-κB, JAK/STAT5 and JNK signalling. [Abstract]

2025 Oct 3;10(1):326. PMID: 41038866
Nature

Microbial metabolite drives ageing-related clonal haematopoiesis via ALPK1. [Abstract]

2025 Jun;642(8066):201-211. PMID: 40269158
Nat Immunol

Adaptive response to inflammation contributes to sustained myelopoiesis and confers a competitive advantage in myelodysplastic syndrome HSCs. [Abstract]

2020 May;21(5):535-545. PMID: 32313245

NIK SMI1 purchased from MedChemExpress. Usage Cited in: Nat Immunol. 2020 May;21(5):535-545. [Abstract]

NIK SMI1 (NIKi; 0, 1, 10 μM) suppressed nuclear accumulation of RelB in THP1 cells. Immunoblotting of nuclear extracts from THP1 cells treated with LPS (100 ng/mL) and/or NIK inhibitor (NIKi).

NIK SMI1 purchased from MedChemExpress. Usage Cited in: Nat Immunol. 2020 May;21(5):535-545. [Abstract]

NIK SMI1 (NIKi; 0, 1, 10 μM) inhibited progenitor colony formation in methylcellulose containing cytokines compared to untreated cells. CD34⁺ del(5q) MDS BM and normal CD34⁺ BM cells treated with NIKi were evaluated for colony formation in methylcellulose.
Nat Commun

Human iPSC-based Modeling of Pulmonary Fibrosis Reveals p300/CBP Inhibition Suppresses Alveolar Transitional Cell State. [Abstract]

2026 Feb 12;17(1):1214. PMID: 41680175
Sci Immunol

Immunodeficiency, autoimmunity, and increased risk of B cell malignancy in humans with TRAF3 mutations. [Abstract]

2022 Aug 12;7(74):eabn3800. PMID: 35960817
Mol Ther

Interaction between stromal cells and tumor cells promotes GCB-DLBCL cell survival via the CD40/RANK-KDM6B-NF-κB axis. [Abstract]

2025 Mar 20:S1525-0016(25)00199-6. PMID: 40119515
Cell Rep

Limited activation interdependence and differing patterns of the in vivo effects of IKK1 and IKK2 downstream of NIK. [Abstract]

2025 Oct 7;44(10):116404. PMID: 41060807

NIK SMI1 purchased from MedChemExpress. Usage Cited in: Cell Rep. 2025 Oct 7;44(10):116404. [Abstract]

NIK SMI1 (SMI1; 1 μM; 1 h) fully blocked effects observed in cells expressing the IKK1-AA mutant.

NIK SMI1 purchased from MedChemExpress. Usage Cited in: Cell Rep. 2025 Oct 7;44(10):116404. [Abstract]

NIK SMI1 (SMI1; 0.2,1 μM) decreased the protein expression of p-p105 S932, P-IKBα, and P-P65 s536 in IKK1-AA HeLa cells.Immunoblot analysis in cells treated with TWEAK and with the IKK2 inhibitor IKK16 or the NIK inhibitor SMI1 both at 200 nM and 1 μM. MG132 was applied for the last hour.

NIK SMI1 purchased from MedChemExpress. Usage Cited in: Cell Rep. 2025 Oct 7;44(10):116404. [Abstract]

Immunoblot assessment of the phosphorylation of the indicated NF-κB proteins (top) and the nuclear translocation of NF-κB proteins (bottom) in response of immortalized MDFs (IMDFs) derived from WT and NIK Xmut mice to TWEAK and MG132 and its arrest by the NIK inhibitor NIK SMI1 (SMI1; 1 μM).
Front Immunol

Activation of NF-κB signaling in tissue-resident memory T cells promotes recurrent psoriasis in mice. [Abstract]

2026 Feb 9:16:1762269. PMID: 41737494
Mol Neurobiol

Myeloid TBK1 Deficiency Induces Motor Deficits and Axon Degeneration Through Inflammatory Cell Infiltration. [Abstract]

2021 May;58(5):2435-2446. PMID: 33439438
J Virol

Mucosal vaccination with long-form TSLP induces migratory cDC1-mediated adaptive immunity against SARS-CoV-2 infection. [Abstract]

2025 Aug 19:e0123125. PMID: 40827912
J Immunol Res

CD40 Signaling Promotes CXCR5 Expression in B Cells via Noncanonical NF- κ B Pathway Activation. [Abstract]

2020 Jul 31:2020:1859260. PMID: 32802892
Res Sq

2025 Sep 1.
bioRxiv

2025 Jan 1.
University of Buffalo

2025.
Research Square Print

2022 Jun.
Research Square Preprint

2020 May.

Solvent & Solubility

In Vitro:

DMSO : 125 mg/mL (342.11 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)

View the Complete Stock Solution Preparation Table

Preparing Stock Solutions

View the Complete Stock Solution Preparation Table

Concentration Solvent Mass

1 mg

5 mg

10 mg

Concentration

Solvent

Mass

1 mM

2.7369 mL

13.6844 mL

27.3688 mL

5 mM

0.5474 mL

2.7369 mL

5.4738 mL

10 mM

0.2737 mL

1.3684 mL

2.7369 mL

Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.

Storage method and period of stock solution: -80°C, 1 year; -20°C, 6 months. When stored at -80°C, please use it within 1 year. When stored at -20°C, please use it within 6 months.

Molarity Calculator

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

Mass Mass

Concentration Concentration

Volume Volume

Molecular Weight Molecular Weight

Dilution Calculator

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

Concentration _(start) Concentration _(start)

Volume _(start) Volume _(start)

Concentration _(final) Concentration _(final)

Volume _(final) Volume _(final)

In Vivo:

Select the appropriate dissolution method based on your experimental animal and administration route.

Stock Solution Working Solution

For the following dissolution methods, please ensure to first prepare a clear stock solution using an In Vitro approach and then sequentially add co-solvents:
To ensure reliable experimental results, the clarified stock solution can be appropriately stored based on storage conditions. As for the working solution for In Vivo experiments, it is recommended to prepare freshly and use it on the same day.
The percentages shown for the solvents indicate their volumetric ratio in the final prepared solution. If precipitation or phase separation occurs during preparation, heat and/or sonication can be used to aid dissolution.

Protocol 1

Add each solvent one by one: 5% DMSO 40% PEG300 5% Tween-80 50% Saline

Solubility: ≥ 2.5 mg/mL (6.84 mM); Clear solution

Protocol 2

Add each solvent one by one: 5% DMSO 95% (20% SBE-β-CD in Saline)

Solubility: ≥ 2.5 mg/mL (6.84 mM); Clear solution

Protocol 3

Add each solvent one by one: 10% DMSO 40% PEG300 5% Tween-80 45% Saline

Solubility: ≥ 2.08 mg/mL (5.69 mM); Clear solution

This protocol yields a clear solution of ≥ 2.08 mg/mL (saturation unknown).

Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (20.8 mg/mL) to 400 μL PEG300, and mix evenly; then add 50 μL Tween-80 and mix evenly; then add 450 μL Saline to adjust the volume to 1 mL.

Protocol 4

Add each solvent one by one: 10% DMSO 90% (20% SBE-β-CD in Saline)

Solubility: ≥ 2.08 mg/mL (5.69 mM); Clear solution

This protocol yields a clear solution of ≥ 2.08 mg/mL (saturation unknown).

Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (20.8 mg/mL) to 900 μL 20% SBE-β-CD in Saline, and mix evenly.

Protocol 5

Add each solvent one by one: 10% DMSO 90% Corn Oil

Solubility: ≥ 2.08 mg/mL (5.69 mM); Clear solution

This protocol yields a clear solution of ≥ 2.08 mg/mL (saturation unknown). If the continuous dosing period exceeds half a month, please choose this protocol carefully.

Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (20.8 mg/mL) to 900 μL Corn oil, and mix evenly.

Working Solution

For the following dissolution methods, please prepare the working solution directly:

It is recommended to prepare fresh solutions and use them promptly within a short period of time.

The percentages shown for the solvents indicate their volumetric ratio in the final prepared solution. If precipitation or phase separation occurs during preparation, heat and/or sonication can be used to aid dissolution.

Protocol 1

Add each solvent one by one: Corn Oil

Solubility: 10 mg/mL (27.37 mM); Suspended solution; Need ultrasonic

Protocol 2

Add each solvent one by one: 50% PEG300 50% Saline

Solubility: 5 mg/mL (13.68 mM); Clear solution; Need ultrasonic

In Vivo Dissolution Calculator

Please enter the basic information of animal experiments:

Dosage Dosage
mg/kg
Animal Weight (Per Animal) Animal Weight (Per Animal)
g
Dosing Volume (Per Animal) Dosing Volume (Per Animal)
μL
Number of Animals Number of Animals

Recommended: Prepare an additional quantity of animals to account for potential losses during experiments.

Recommended: Prepare an additional quantity of animals to account for potential losses during experiments.

Please enter your animal formula composition:

%
DMSO +

Recommended: Keep the proportion of DMSO in working solution below 2% if your animal is weak.
%
+
+
%
Tween-80 + +
%
Saline +

The co-solvents required include: DMSO, . All of co-solvents are available by MedChemExpress (MCE). , Tween 80. All of co-solvents are available by MedChemExpress (MCE).

Working solution concentration: 0.22 mg/mL

Protocol

Cell Assay^[1]

Human B cells are re-suspended in RPMI with 10% FBS for the proliferation assays and 2.5% FBS for the survival assays. Mouse B cells are plated in Co-star 96-well plates at either 50,000 cells/well for the survival assays or at 150,000 cells/well for the proliferation assays. Compounds (e.g., NIK SMI1) diluted in DMSO (final DMSO assay concentration=0.1%) are added to the cells. The cells are incubated with NIK SMI1 for one hour at 37°C. Stimulus is then added to the plates and survival or proliferation is measured after four days. For the proliferation assays, cells are treated with either Anti-IgM (20 µg/mL) or rhCD40L (10 µg/mL) or anti-mouse CD40 (100 ng/mL). For the BAFF survival assay, cells are treated with human or mouse rBAFF at 10 ng/mL followed by Cell Titer Glo to measure survival on day four^[1].

MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.

Animal Administration^[1]

Mice^[1]
Age-matched C57BL/6 mice are used. Only female mice are used in these experiments. The single oral doses of NIK SMI1 are 10, 20, 60, 100, and 200 mg/kg. For PO dosing, animals are manually restrained, then dosed via oral gavage using an appropriately sized gavage needle. Animals are monitored for any signs of aspiration or distress-respiratory abnormalities, lethargy, pale extremities, etc. For sample collection, 3 mice per group are bled a total of 8 times via tail prick using a 27 G needle (lateral tail vein). 10 μL of blood is collected at each timepoint and deposited into a pre-filled costar cluster tube containing 40 μL of 1.7 mg/mL EDTA/water, the tube is capped, votexed for 5 seconds, then stored on dry ice. Samples are transferred to a -80°C freezer for storage^[1].

MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.

Purity & Documentation

Select Batch:

Purity: 99.98%

Assay: 99.98%

ee.: 99.98%

Data Sheet (281 KB)
SDS (251 KB)
- English - EN (251 KB)
- Français - FR (251 KB)
- Deutsch - DE (251 KB)
- Norwegian - NO (251 KB)
- Español - ES (251 KB)
- Swedish - SV (251 KB)
- Italian - IT (251 KB)
- Korean - KR (251 KB)
- Portuguese - PT (251 KB)
COA (2659 KB)
Elemental Analysis Report (2659 KB)
HNMR (2659 KB)
CNMR (2659 KB)
RP-HPLC (2659 KB)
NP-HPLC (2659 KB)
MS (2659 KB)
LCMS (2659 KB)
IR (2659 KB)
GC (2659 KB)
OR (2659 KB)
SDS-PAGE (2659 KB)
SEC-HPLC (2659 KB)
Other Report (2659 KB)
Handling Instructions (2659 KB)

References

[1]. Blaquiere N, et al. Scaffold-Hopping Approach To Discover Potent, Selective, and Efficacious Inhibitors of NF-κB Inducing Kinase. J Med Chem. 2018 Aug 9;61(15):6801-6813. [Content Brief]

Help & FAQs

How should lyophilized recombinant proteins be reconstituted and stored?

1. Before opening the cap, centrifuge the vial at 13000 rpm for 20-30 seconds. This step will ensure that any lyophilized powder that may have adhered to the cap or walls is collected at the bottom of the vial, minimizing the risk of product loss.

Complete Stock Solution Preparation Table

Storage method and period of stock solution: -80°C, 1 year; -20°C, 6 months. When stored at -80°C, please use it within 1 year. When stored at -20°C, please use it within 6 months.

Optional Solvent	Concentration Solvent Mass	1 mg	5 mg	10 mg	25 mg
DMSO	1 mM	2.7369 mL	13.6844 mL	27.3688 mL	68.4219 mL
	5 mM	0.5474 mL	2.7369 mL	5.4738 mL	13.6844 mL
	10 mM	0.2737 mL	1.3684 mL	2.7369 mL	6.8422 mL
	15 mM	0.1825 mL	0.9123 mL	1.8246 mL	4.5615 mL
	20 mM	0.1368 mL	0.6842 mL	1.3684 mL	3.4211 mL
	25 mM	0.1095 mL	0.5474 mL	1.0948 mL	2.7369 mL
	30 mM	0.0912 mL	0.4561 mL	0.9123 mL	2.2807 mL
	40 mM	0.0684 mL	0.3421 mL	0.6842 mL	1.7105 mL
	50 mM	0.0547 mL	0.2737 mL	0.5474 mL	1.3684 mL
	60 mM	0.0456 mL	0.2281 mL	0.4561 mL	1.1404 mL
	80 mM	0.0342 mL	0.1711 mL	0.3421 mL	0.8553 mL
	100 mM	0.0274 mL	0.1368 mL	0.2737 mL	0.6842 mL

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NIK SMI1

Bioactive Compound Library Max

Bioactive Compound Library

Immunology/Inflammation Compound Library

NF-κB Signaling Compound Library

Stem Cell Signaling Compound Library

Anti-Aging Compound Library

Antioxidant Compound Library

Differentiation Inducing Compound Library

Oxygen Sensing Compound Library

Pyroptosis Compound Library

Chemical Probe Library

Anti-Breast Cancer Compound Library

Anti-Pancreatic Cancer Compound Library

Anti-Blood Cancer Compound Library

Anti-Cancer Metabolism Compound Library

Anti-Obesity Compound Library

Transcription Factor-Targeted Library

Anti-Liver Cancer Compound Library

Antidepressant Compound Library

Anti-Prostate Cancer Compound Library

Cancer Stem Cells Compound Library

Heterocyclic Compound Library

Pain-Related Compound Library

Highly Selective Inhibitors Library

Anti-Hematopathy Compound Library

Anti-Ovarian Cancer Compound Library

Radioprotector Library

MCE Bioactive Compound Library

Anti-Fibrosis Compound Library

Non-Alcoholic Fatty Liver Disease (NAFLD) Compound Library

Cell Proliferation Compound Library

High-Throughput Bioactive Compound Library

Lactylation Compound Library

Alkyne Compound Library

Publications Citing Use of MedChemExpress (MCE) NIK SMI1

All NF-κB Isoforms

Biological Activity

Chemical Information

Publications (16)

Solvent & Solubility

Protocol

Purity & Documentation

References

Help & FAQs

Complete Stock Solution Preparation Table

NIK SMI1 Related Classifications

HY-112433 Related Classifications