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Seclidemstat (SP-2577) - 10mM in DMSO, high purity , CAS No.1423715-37-0
Basic Description
Synonyms
SECLIDEMSTAT [WHO-DD] | BDBM50590443 | SECLIDEMSTAT [USAN] | 1423715-37-0 | NSC833973 | NSC-833973 | TYH386V3WJ | SCHEMBL14697017 | Benzoic acid, 3-[(4-methyl-1-piperazinyl)sulfonyl]-, (2E)-2-[1-(5-chloro-2-hydroxyphenyl)ethylidene]hydrazide | YGC71537 |
Specifications & Purity
10mM in DMSO
Biochemical and Physiological Mechanisms
Seclidemstat (SP-2577) is a potent and orally bioavailable inhibitor of lysine-specific demethylase 1 (LSD1/KDM1A) with IC50 of 127 nM. Seclidemstat (SP-2577) has potential antineoplastic activity.
Storage Temp
Store at -80°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Product Description
Information
Seclidemstat (SP-2577) Seclidemstat (SP-2577) is a potent and orally bioavailable inhibitor of lysine-specific demethylase 1 (LSD1/KDM1A) with IC50 of 127 nM. Seclidemstat (SP-2577) has potential antineoplastic activity.
Targets
LSD1/KDM1A (Cell-free assay) 127 nM
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzenesulfonamides
Intermediate Tree Nodes
Not available
Direct Parent
Benzenesulfonamides
Alternative Parents
Benzoic acids and derivatives Benzenesulfonyl compounds P-chlorophenols Benzoyl derivatives N-methylpiperazines Chlorobenzenes 1-hydroxy-2-unsubstituted benzenoids Organosulfonamides Aryl chlorides Sulfonyls Trialkylamines Amino acids and derivatives Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzenesulfonamide - Benzenesulfonyl group - Benzoic acid or derivatives - 4-chlorophenol - 4-halophenol - Benzoyl - 1-hydroxy-2-unsubstituted benzenoid - N-alkylpiperazine - N-methylpiperazine - Phenol - Halobenzene - Chlorobenzene - Organosulfonic acid amide - Piperazine - 1,4-diazinane - Aryl halide - Aryl chloride - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Product Properties
ALogP
2.16
HBD Count
2
Rotatable Bond
5
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
N-[(E)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
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
Smiles
CC(=NNC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)C)C3=C(C=CC(=C3)Cl)O
Isomeric SMILES
C/C(=N\NC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)C)/C3=C(C=CC(=C3)Cl)O
PubChem CID
135565033
Molecular Weight
450.94
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
DMSO(mg / mL) Max Solubility
90
DMSO(mM) Max Solubility
199.583093094425
Water(mg / mL) Max Solubility
˂1
Molecular Weight
450.900 g/mol
XLogP3
2.300
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
7
Rotatable Bond Count
5
Exact Mass
450.113 Da
Monoisotopic Mass
450.113 Da
Topological Polar Surface Area
111.000 Ų
Heavy Atom Count
30
Formal Charge
0
Complexity
734.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
1
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
1
Covalently-Bonded Unit Count
1
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