Cat. No.: HY-165526

S101

S101 is an inhibitor of SLP-76 and AhR. By inhibiting SLP-76 phosphorylation, S101 blocks the TCR signaling pathway and prevents AhR nuclear translocation, thereby selectively suppressing the proliferation of activated T cells, inducing their apoptosis, and reducing TNF-α levels. S101 can be used in studies of graft rejection, psoriasis, and superantigen-induced toxic shock.

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

CAS No.: 362508-67-6
Formula: C₂₄H₂₃N₃O₃
Molecular Weight:401.47

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Please store the product under the recommended conditions in the Certificate of Analysis.

S101 Chemical Structure

CAS No.: 362508-67-6

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Use of MCE Products

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

Biological Activity
- Description
- IC₅₀ & Target
- Cellular Effect
- In Vitro
- In Vivo
Chemical Information
Purity & Documentation
References
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Classifications
Bioz

Biological Activity

Description

IC₅₀ & Target

^[1]^[2]

SLP-76

AhR

TNF-α

All TNF Receptor Isoforms :

Cellular Effect

Cell Line	Type	Value	Description	References
PBMC	IC50	70 nM	Antiproliferative activity against human PBMC assessed via BrdU incorporation colorimetric ELISA after 72 h incubation with stimulated cells. Antiproliferative activity against human PBMC assessed via BrdU incorporation colorimetric ELISA after 72 h incubation with stimulated cells.	20674367
Jurkat	IC50	29 nM	Antiproliferative activity against human Jurkat acute T cell leukemia cells assessed via BrdU incorporation colorimetric ELISA after 72 h incubation with stimulated cells. Antiproliferative activity against human Jurkat acute T cell leukemia cells assessed via BrdU incorporation colorimetric ELISA after 72 h incubation with stimulated cells.	20674367
Jurkat	IC50	0.05 μM	Antiproliferative activity against human Jurkat acute T cell leukemia cells assessed via BrdU incorporation colorimetric ELISA after 72 h incubation with non-stimulated cells. Antiproliferative activity against human Jurkat acute T cell leukemia cells assessed via BrdU incorporation colorimetric ELISA after 72 h incubation with non-stimulated cells.	20674367
PBMC	IC50	0.05 μM	Antiproliferative activity against human PBMC assessed via BrdU incorporation colorimetric ELISA after 72 h incubation with non-stimulated cells. Antiproliferative activity against human PBMC assessed via BrdU incorporation colorimetric ELISA after 72 h incubation with non-stimulated cells.	20674367
PC-3	IC50	10 μM	Antiproliferative activity against human PC3 prostate cancer cells assessed via BrdU incorporation colorimetric ELISA after 72 h incubation with non-stimulated cells. Antiproliferative activity against human PC3 prostate cancer cells assessed via BrdU incorporation colorimetric ELISA after 72 h incubation with non-stimulated cells.	20674367
HEK293	IC50	10 μM	Antiproliferative activity against human HEK293 embryonic kidney cells assessed via BrdU incorporation colorimetric ELISA after 72 h incubation with non-stimulated cells. Antiproliferative activity against human HEK293 embryonic kidney cells assessed via BrdU incorporation colorimetric ELISA after 72 h incubation with non-stimulated cells.	20674367
NIH3T3	IC50	3 μM	Antiproliferative activity against mouse NIH 3T3 embryo fibroblasts assessed via BrdU incorporation colorimetric ELISA after 72 h incubation with non-stimulated cells. Antiproliferative activity against mouse NIH 3T3 embryo fibroblasts assessed via BrdU incorporation colorimetric ELISA after 72 h incubation with non-stimulated cells.	20674367
MDA-MB-231	IC50	10 μM	Antiproliferative activity against human MDA-MB-231 breast adenocarcinoma cells assessed via BrdU incorporation colorimetric ELISA after 72 h incubation with non-stimulated cells. Antiproliferative activity against human MDA-MB-231 breast adenocarcinoma cells assessed via BrdU incorporation colorimetric ELISA after 72 h incubation with non-stimulated cells.	20674367
Jurkat	IC50	0.1 μM	Antiproliferative activity against human Jurkat acute T cell leukemia cells assessed via BrdU incorporation colorimetric ELISA after 72 h incubation with stimulated cells. Antiproliferative activity against human Jurkat acute T cell leukemia cells assessed via BrdU incorporation colorimetric ELISA after 72 h incubation with stimulated cells.	20674367
A-375	IC50	10 μM	Antiproliferative activity against human A375 malignant melanoma cells assessed via BrdU incorporation colorimetric ELISA after 72 h incubation with stimulated cells. Antiproliferative activity against human A375 malignant melanoma cells assessed via BrdU incorporation colorimetric ELISA after 72 h incubation with stimulated cells.	20674367
NIH3T3	IC50	7 μM	Antiproliferative activity against mouse NIH 3T3 embryo fibroblasts assessed via BrdU incorporation colorimetric ELISA after 72 h incubation with stimulated cells. Antiproliferative activity against mouse NIH 3T3 embryo fibroblasts assessed via BrdU incorporation colorimetric ELISA after 72 h incubation with stimulated cells.	20674367
PBMC	IC50	0.1 μM	Antiproliferative activity against human PBMC stimulated with ConA assessed via BrdU incorporation colorimetric ELISA after 72 h incubation. Antiproliferative activity against human PBMC stimulated with ConA assessed via BrdU incorporation colorimetric ELISA after 72 h incubation.	20674367
PBMC	IC50	0.5 μM	Antiproliferative activity against human PBMC stimulated with ODN2006 or LPS assessed via BrdU incorporation colorimetric ELISA after 72 h incubation. Antiproliferative activity against human PBMC stimulated with ODN2006 or LPS assessed via BrdU incorporation colorimetric ELISA after 72 h incubation.	20674367
PBMC	IC50	203 nM	Inhibition of cell viability in TSST-1-stimulated human peripheral blood mononuclear cells incubated for 72 hrs by CellTiter Glo viability assay. Inhibition of cell viability in TSST-1-stimulated human peripheral blood mononuclear cells incubated for 72 hrs by CellTiter Glo viability assay.	29149330

In Vitro

S101 (compound 1) potently inhibits the proliferation of human Jurkat cells (IC₅₀ = 29 nM) and human PBMC (IC₅₀ = 70 nM), while exhibiting much lower inhibitory activity against non-hematopoietic cell lines including PC3, HEK293, NIH 3T3, A375, MDA-MB-231, and primary human keratinocytes^[1].
S101 (0.01-1 μM; 72 h) specifically inhibits the proliferation of human CD3+ T cells (IC₅₀ = ~0.1 μM) and exerts a much weaker inhibitory effect on the non-T cell components of PBMCs^[1].
S101 (0.5-1 μM; 16 h) inhibits the tyrosine phosphorylation of SLP-76 and the kinase activity of ZAP-70 in human Jurkat cells in a dose-dependent manner^[1].
S101 (0.5 μM; 12-24 h) induces G2 phase cell cycle arrest and low-level apoptosis in human Jurkat cells and human peripheral blood mononuclear cells (PBMC)^[1].
S101 (0.5-5 μM) inhibits the proliferation of human Jurkat cells and human PBMCs without reducing IL-2 secretion^[1].
S101 (0.06-4.50 μM; 72 h) inhibits the viability of SEB-stimulated human peripheral blood mononuclear cells (PBMCs) with an IC₅₀ of 360 nM, but exerts no effect on unstimulated human PBMCs^[2].
S101 (0.06-4.50 μM; 72 h) inhibits the viability of TSST-1-stimulated human peripheral blood mononuclear cells (PBMCs) with an IC₅₀ of 203 nM, but has no effect on unstimulated human PBMCs^[2].
S101 (0.06-13.5 μM; 4 h) inhibits SEB-induced secretion of TNF-α in human peripheral blood mononuclear cells (PBMCs)^[2].
S101 (0.5 μM; 0.5-2 h) alters the phosphorylation levels of proteins associated with the TCR signaling pathway and the actin cytoskeleton regulatory pathway in human acute T-cell leukemia Jurkat cells. Following treatment with 0.5 μM S101 for 0.5 h, 148 phosphopeptides exhibit significant changes^[2].
S101 (1 μM; 2 h) reduces CD3 expression on the surface of human peripheral blood mononuclear cells (PBMCs)^[2].
S101 (0.5 μM; 1-24 h) modulates the expression of multiple aryl hydrocarbon receptor target genes in human peripheral blood mononuclear cells (PBMCs) treated with 0.5 μM S101 for 1 to 24 hours, inhibiting the expression of most targets and upregulating the expression of IL6^[2].
S101 (1 μM; 0.5-6 h) retains the aryl hydrocarbon receptor in the cytoplasm of human T-cell lymphoma Karpas 299 cells^[2].
S101 (24-96 h) inhibits the proliferation of human peripheral blood mononuclear cells (PBMCs) stimulated by SEB, and this inhibitory effect is detected by a reduction in BrdU incorporation, whether S101 is added simultaneously with SEB or 24 h after SEB stimulation^[2].
S101 (0.5 μM; 30 h) alters gene expression in human peripheral blood mononuclear cells (PBMCs) treated with 0.5 μM for 30 h, with significant enrichment of inflammatory response pathways and altered expression of multiple AhR target genes^[2].

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

Western Blot Analysis^[2]

Cell Line:

Karpas 299 human T-cell lymphoma cells
Concentration:

1 μM
Incubation Time:

0.5, 1, 2, 4, 6 h (alone); 2 h pre-incubation prior to 0.5-4 h ITE treatment; 4 h (co-incubated with ITE)
Result:

Retained AhR in the cytosol and reduced nuclear AhR levels when administered alone.
Prevented ITE-induced CYP1B1 induction and slowed nuclear degradation of AhR when administered as a 2-hour pretreatment before ITE.

Cell Proliferation Assay^[2]

Cell Line:

ITE-treated Jurkat human acute T-cell leukemia cells, ITE-treated Karpas 299 human T-cell lymphoma cells
Concentration:

0.0625, 0.125, 0.25, 0.5, 1, 1.5, 2 μM
Incubation Time:

overnight (co-incubated with ITE), followed by 4 h BrdU labeling
Result:

Counteracted ITE-induced proliferation in Jurkat cells.
Inhibited proliferation in Karpas 299 cells treated with ITE.

In Vivo

S101 (100 mg/kg; i.p.; single injection) rescues 100% of SEB-challenged mice when administered concurrently with the toxin, reduces blood TNF-α levels by approximately 10-fold at 6 h post-challenge, and rescues 40% of TSST-1-challenged mice when administered at 2 h post-challenge^[2].

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

Animal Model:

BALB/c mice (11-12-week-old female; 15-16-week-old female; sensitized with d-galactosamine prior to challenge with staphylococcal enterotoxin B or toxic shock syndrome toxin 1)^[2]
Dosage:

100 mg/kg
Administration:

i.p.; single injection
Result:

Rescued 100% of SEB-challenged mice when administered concurrently with toxin.
Improved survival relative to vehicle controls when administered 30 minutes after SEB.
Rescued 40% of TSST-1-challenged mice when administered 120 minutes after toxin.
Reduced blood TNF-α levels approximately 10-fold at 6 hours post-challenge in mice treated concurrently with SEB.
Lowered blood TNF-α levels to basal levels by 24 hours post-challenge in mice treated concurrently with SEB.

Chemical Information

CAS No. 362508-67-6
Molecular Weight 401.47
Formula C₂₄H₂₃N₃O₃
SMILES

N=1C(=NC(NC2=CC=C(C=C2)C)=C3C=CC=CC13)C=4C=C(OC)C(OC)=C(OC)C4
Shipping

Room temperature in continental US; may vary elsewhere.
Storage

Please store the product under the recommended conditions in the Certificate of Analysis.

Purity & Documentation

Handling Instructions (2659 KB)

References

[1]. Sagiv-Barfi I, et al. Design, synthesis, and evaluation of quinazoline T cell proliferation inhibitors. Bioorganic & medicinal chemistry. 2010 Sep 01;18(17):6404-13.

[2]. Shir A, et al. S101, an Inhibitor of Proliferating T Cells, Rescues Mice From Superantigen-Induced Shock. The Journal of infectious diseases. 2018 Jan 04;217(2):288-297.

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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.

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S101

All TNF Receptor Isoforms