Cat. No.: HY-136522

S2116

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S2116, a N-alkylated tranylcypromine (TCP) derivative, is a potent lysine-specific demethylase 1 (LSD1) inhibitor. S2116 increases H3K9 methylation and reciprocal H3K27 deacetylation at super-enhancer regions. S2116 induces apoptosis in TCP-resistant T-cell acute lymphoblastic leukemia (T-ALL) cells by repressing transcription of the NOTCH3 and TAL1 genes. S2116 significantly retardes the growth of T-ALL cells in xenotransplanted mice.

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

Purity: 98.05%
CAS No.: 2262489-89-2
Formula: C₂₂H₂₆ClF₂N₃O₂
Molecular Weight:437.91

Storage:

4°C, sealed storage, away from moisture

* In solvent : -80°C, 6 months; -20°C, 1 month (sealed storage, away from moisture)

S2116 Chemical Structure

CAS No.: 2262489-89-2

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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
- In Vitro
- In Vivo
Chemical Information
Solvent & Solubility
- In Vitro
Purity & Documentation
References
Help & FAQs
Classifications
Bioz

Biological Activity

Description

IC₅₀ & Target

LSD1^[1]

All Histone Demethylase Isoforms :

In Vitro

S2116 is particularly effective for T-ALL cell lines with the IC₅₀ values between 1.1 µM for human T-ALL cell lines CEM and 6.8 µM for MOLT4^[1].
S2116 (4-20 µM; 72 hours) modestly inhibits mitogen-activated normal T-lymphocytes^[1].
S2116 (4-8 µM; 24 hours) induces apoptosis and down-regulates the expression of NOTCH3 and TAL1 proteins in T-ALL cells^[1].

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

Cell Viability Assay^[1]

Cell Line:

Normal T-lymphocytes
Concentration:

4, 8, 12, 16, 20 µM
Incubation Time:

For 72 hours
Result:

Modestly inhibited mitogen-activated normal T-lymphocytes.

Apoptosis Analysis^[1]

Cell Line:

T-cell acute lymphoblastic leukemia (T-ALL) cells
Concentration:

4, 6, 8 µM
Incubation Time:

For 24 hours
Result:

Induced apoptosis, as evidenced by increased annexin-V reactivity on flow cytometry in T-ALL cells in a dose- and time-dependent manner without affecting cell cycle distribution.

Western Blot Analysis^[1]

Cell Line:

T-ALL cells
Concentration:

4, 6, 8 µM
Incubation Time:

For 24 hours
Result:

Down-regulated the expression of NOTCH3 and TAL1 proteins in T-ALL cells.

In Vivo

S2116 (50 mg/kg; IP; 3 times a week; for 28 days) causes the size of subcutaneous tumors reduced to less than 20% of that in the untreated control^[1].
S2116 (50 mg/kg; IP) has a T_1/2 of 3.76 hours, a C_max of 12.7 μM and an AUC of 59.2 μM•h^[1].

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

Animal Model:

Nonobese diabetic/severe combined immunodeficiency (NOD/SCID) mice with MOLT4 cells^[1]
Dosage:

50 mg/kg
Administration:

IP; 3 times a week; for 28 days
Result:

The size of subcutaneous tumors reduced to less than 20% of that in the untreated control.

Animal Model:

8-week-old ICR mice^[1]
Dosage:

50 mg/kg (Pharmacokinetic Analysis)
Administration:

IP
Result:

Had a T_1/2 of 3.76 hours, a C_max of 12.7 μM and an AUC of 59.2 μM•h.

Chemical Information

CAS No. 2262489-89-2
Appearance Solid
Molecular Weight 437.91
Formula C₂₂H₂₆ClF₂N₃O₂
Color Off-white to light yellow
SMILES

FC1=CC(F)=C(OCC2=CC=CC=C2)C([C@H]3[C@H](NCC(N4C[C@@H](N)CC4)=O)C3)=C1.[H]Cl
Shipping

Room temperature in continental US; may vary elsewhere.
Storage

4°C, sealed storage, away from moisture

* In solvent : -80°C, 6 months; -20°C, 1 month (sealed storage, away from moisture)

Solvent & Solubility

In Vitro:

DMSO : 100 mg/mL (228.36 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

2.2836 mL

11.4179 mL

22.8357 mL

5 mM

0.4567 mL

2.2836 mL

4.5671 mL

10 mM

0.2284 mL

1.1418 mL

2.2836 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, 6 months; -20°C, 1 month (sealed storage, away from moisture). When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.

Molarity Calculator

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

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Purity & Documentation

Select Batch:

Purity: 99.98%

Assay: 99.98%

ee.: 99.98%

Data Sheet (277 KB)
SDS (252 KB)
- English - EN (252 KB)
- Français - FR (252 KB)
- Deutsch - DE (252 KB)
- Norwegian - NO (252 KB)
- Español - ES (252 KB)
- Swedish - SV (252 KB)
- Italian - IT (252 KB)
- Korean - KR (252 KB)
- Portuguese - PT (252 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]. Shiori Saito, et al. Eradication of Central Nervous System Leukemia of T-Cell Origin With a Brain-Permeable LSD1 Inhibitor. Clin Cancer Res. 2019 Mar 1;25(5):1601-1611. [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

Optional Solvent	Concentration Solvent Mass	1 mg	5 mg	10 mg	25 mg
DMSO	1 mM	2.2836 mL	11.4179 mL	22.8357 mL	57.0894 mL
	5 mM	0.4567 mL	2.2836 mL	4.5671 mL	11.4179 mL
	10 mM	0.2284 mL	1.1418 mL	2.2836 mL	5.7089 mL
	15 mM	0.1522 mL	0.7612 mL	1.5224 mL	3.8060 mL
	20 mM	0.1142 mL	0.5709 mL	1.1418 mL	2.8545 mL
	25 mM	0.0913 mL	0.4567 mL	0.9134 mL	2.2836 mL
	30 mM	0.0761 mL	0.3806 mL	0.7612 mL	1.9030 mL
	40 mM	0.0571 mL	0.2854 mL	0.5709 mL	1.4272 mL
	50 mM	0.0457 mL	0.2284 mL	0.4567 mL	1.1418 mL
	60 mM	0.0381 mL	0.1903 mL	0.3806 mL	0.9515 mL
	80 mM	0.0285 mL	0.1427 mL	0.2854 mL	0.7136 mL
	100 mM	0.0228 mL	0.1142 mL	0.2284 mL	0.5709 mL

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S2116

Anti-Blood Cancer Compound Library

Anti-Cancer Metabolism Compound Library

Heterocyclic Compound Library

Highly Selective Inhibitors Library

Highly Selective Activators Library

Cell Death Library

Anti-Drug-Resistant Compound Library

Anti-Hematopathy Compound Library

Bioactive Compound Library Max

MCE Bioactive Compound Library

Bioactive Compound Library

Non-Alcoholic Fatty Liver Disease (NAFLD) Compound Library

Methylation Compound Library

High-Throughput Bioactive Compound Library

Posttranslational Modification Library

Apoptosis Compound Library

Epigenetics Compound Library

Histone Modification Research Compound Library

Anti-Cancer Compound Library

All Histone Demethylase Isoforms

Biological Activity

Chemical Information

Solvent & Solubility

Purity & Documentation

References

Help & FAQs

Complete Stock Solution Preparation Table

S2116

Anti-Blood Cancer Compound Library

Anti-Cancer Metabolism Compound Library

Heterocyclic Compound Library

Highly Selective Inhibitors Library

Highly Selective Activators Library

Cell Death Library

Anti-Drug-Resistant Compound Library

Anti-Hematopathy Compound Library

Bioactive Compound Library Max

MCE Bioactive Compound Library

Bioactive Compound Library

Non-Alcoholic Fatty Liver Disease (NAFLD) Compound Library

Methylation Compound Library

High-Throughput Bioactive Compound Library

Posttranslational Modification Library

Apoptosis Compound Library

Epigenetics Compound Library

Histone Modification Research Compound Library

Anti-Cancer Compound Library

All Histone Demethylase Isoforms

Biological Activity

Chemical Information

Solvent & Solubility

Purity & Documentation

References

Help & FAQs

Complete Stock Solution Preparation Table

S2116 Related Classifications

HY-136522 Related Classifications