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Seclidemstat

CAT: 0804-HY-103713-06Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-103713-06Size:100 mg
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Description
Seclidemstat is a potent noncompetitive and reversible KDM1A (LSD1) inhibitor (Ki=31 nM, IC50=13 nM) . Seclidemstat promotes antitumor immunity in switch/sucrose nonfermentable (SWI/SNF) complex mutated ovarian cancer, as well as inhibit virus production, viral DNA replication, and late gene expression. Seclidemstat can be used for the research of Ewing Sarcoma[1][2].
CAS Number
1423715-37-0
Product Name Alternative
SP-2577
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Histone Demethylase
Type
Reference compound
Related Pathways
Epigenetics
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/Seclidemstat.html
Purity
99.77
Solubility
DMSO : 50 mg/mL (ultrasonic; warming; heat to 80°C)
Smiles
O=C(N/N=C(C1=CC(Cl)=CC=C1O)\C)C2=CC=CC(S(=O)(N3CCN(C)CC3)=O)=C2
Molecular Formula
C20H23ClN4O4S
Molecular Weight
450.94
Precautions
H302, H315, H319, H335
References & Citations
[1]Dai XJ, et al. Reversible Lysine Specific Demethylase 1 (LSD1) Inhibitors: A Promising Wrench to Impair LSD1 [published correction appears in J Med Chem. 2021 May 13;64 (9) :6410-6411]. J Med Chem. 2021;64 (5) :2466-2488. |[2]Soldi R, et al. The novel reversible LSD1 inhibitor SP-2577 promotes anti-tumor immunity in SWItch/Sucrose-NonFermentable (SWI/SNF) complex mutated ovarian cancer. PLoS One. 2020;15 (7) :e0235705. Published 2020 Jul 10.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
Phase 2
Isoform
KDM1/LSD1
Citation 01
ACS Pharmacol Transl Sci. 2021 Nov 12;4 (6) :1818-1834.|Biochem Biophys Res Commun. 2025 Jan 27:750:151330.|bioRxiv. 2020 May.|Boston University. 2025.|Cancer Lett. 2024 Aug 21:600:217182.|Clin Exp Med. 2025 Nov 25;26 (1) :33.|Mol Cancer. 2025 Apr 23;24 (1) :122.|Mol Divers. 2024 Dec;28 (6) :4403-4424.|Nat Cell Biol. 2022 Mar;24 (3) :373-383.|bioRxiv. 2024 October 29.|Clin Exp Med. 2025 Nov 25;26 (1) :33.|Indiana University. 2025.

Chemical Information

Seclidemstat

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.

CAS Number1423715-37-0
PubChem CID135565033
IUPAC NameN-[(E)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
Molecular FormulaC20H23ClN4O4S
Molecular Weight450.9
XLogP2.3
Topological Polar Surface Area111
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count30
Formal Charge0
Complexity734
SMILES
C/C(=N\NC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)C)/C3=C(C=CC(=C3)Cl)O
InChI
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+
InChIKey
MVSQDUZRRVBYLA-HYARGMPZSA-N
Chemical Structure
2D Structure
2D structure of Seclidemstat
CAS: 1423715-37-0
CID: 135565033
Formula: C20H23ClN4O4S
MW: 450.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight450.9
XLogP32.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass450.1128541
Monoisotopic Mass450.1128541
Topological Polar Surface Area111 Ų
Heavy Atom Count30
Formal Charge0
Complexity734
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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