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Seclidemstat

CAT: 0607-BA4781-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0607-BA4781-50Size:50 mg
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CAS Number
1423715-37-0
Form
A solid
Molecular Formula
C20H23ClN4O4S
Molecular Weight
450.94
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

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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