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Purity: ≥98%
Seclidemstat (formerly also known as SP-2577; SP2577) is a novel, potent small molecule inhibitor of epigenetic enzyme LSD1 (lysine-specific demethylase 1) with anticancer activity. It inhibits LSD1 with a mean IC50 of 127 nM. Seclidemstat has the potential for the treatment of cancer. It is currently undergoing Phase 1 clinical trial in Ewing's sarcoma. Seclidemstat represents a paradigm shift in the treatment of cancer and Ewing sarcoma is a devastating pediatric, adolescent and young adult bone cancer where no targeted therapies are currently available.
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| ln Vitro |
In cells with an IC50 ranging from 0.013 to 2.819 μM (COV434, BIN67, SCCOHT-1, TOV21G, SKOV3, A427, H522, A549, H1299, G401, G402, HCC15 cells), seclidemstat (72 hours) inhibits the growth of tumors caused by SWI/SNF mutations. seclidemstat (72 hours) increases IFNβ immunity and endogenous retrovirus (ERV) expression in SCCOHT cell lines (SCCOHT-1), BIN67, and COV434 cells [2]. seclidemstat (72 hours) increases PD-L1 expression in SCCOHT COV 434 pIND 20 BRG1-2.7 cell line [2].
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| Additional Infomation |
Seclidemstat is an orally available, reversible, noncompetitive inhibitor of lysine-specific demethylase 1 (LSD1, or KDM1A), with potential antineoplastic activity. Upon oral administration, seclidemstat reversibly inhibits LSD1, a demethylase that suppresses the expression of target genes by converting the di- and mono-methylated forms of lysine at position 4 of histone 3 (H3K4) to mono- and unmethylated H3K4, respectively. LSD1 inhibition enhances H3K4 methylation and increases the expression of tumor suppressor genes. This may lead to an inhibition of cell growth in LSD1-overexpressing tumor cells. In addition, LSD1 demethylates mono- or di-methylated H3K9 which increases gene expression of tumor promoting genes; inhibition of LSD1 promotes H3K9 methylation and decreases transcription of these genes.
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| Molecular Formula |
C20H23CLN4O4S
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| Molecular Weight |
450.93
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| Exact Mass |
450.112
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| CAS # |
1423715-37-0
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| Related CAS # |
Seclidemstat mesylate;2044953-70-8
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| PubChem CID |
135565033
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| Appearance |
Off-white to yellow solid powder
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| Density |
1.4±0.1 g/cm3
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| Index of Refraction |
1.645
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| LogP |
4.07
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
7
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| Rotatable Bond Count |
5
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| Heavy Atom Count |
30
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| Complexity |
734
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C/C(=N\NC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)C)/C3=C(C=CC(=C3)Cl)O
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| InChi Key |
MVSQDUZRRVBYLA-HYARGMPZSA-N
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| InChi Code |
InChI=1S/C20H23ClN4O4S/c1-14(18-13-16(21)6-7-19(18)26)22-23-20(27)15-4-3-5-17(12-15)30(28,29)25-10-8-24(2)9-11-25/h3-7,12-13,26H,8-11H2,1-2H3,(H,23,27)/b22-14+
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| Chemical Name |
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| Synonyms |
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| HS Tariff Code |
2934.99.9001
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| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month |
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| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
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| Solubility (In Vitro) |
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (4.61 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: 2 mg/mL (4.44 mM) in 1.6% DMA 5% Ethanol 45% PEG400 48.4% PBS (add these co-solvents sequentially from left to right, and one by one), clear solution; with ultrasonication (<60°C). View More
Solubility in Formulation 3: 10 mg/mL (22.18 mM) in 0.5% CMC-Na/saline water (add these co-solvents sequentially from left to right, and one by one), suspension solution; with ultrasonication. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.2176 mL | 11.0882 mL | 22.1764 mL | |
| 5 mM | 0.4435 mL | 2.2176 mL | 4.4353 mL | |
| 10 mM | 0.2218 mL | 1.1088 mL | 2.2176 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
Products are for research use only; We do not sell to patients
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