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Epigenetics
Histone Demethylase
Seclidemstat - 98%, high purity , CAS No.1423715-37-0

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Seclidemstat - 98%, high purity , CAS No.1423715-37-0

COA

Grade & Purity:

≥98%

Cas Number: 1423715-37-0
Molecular Weight: 450.94
PubChem CID: 135565033
PubChem SID: 488202969

In stock

Item Number

S413599

Grouped product items
SKU	Size	Availability	Price
S413599-5mg	5mg	3	$48.90
S413599-10mg	10mg	2	$78.90
S413599-25mg	25mg	1	$147.90
S413599-50mg	50mg	1	$246.90
S413599-100mg	100mg	1	$444.90
S413599-200mg	200mg	1	$801.90

LSD1 Inhibitors

View related series

Epigenetics (1496) Histone Demethylase (97) Histone Modification (1379)

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	≥98%
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 -20°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzenesulfonamides

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
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. DOI: 10.1186/s13321-016-0174-y

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

Pubchem Sid	488202969
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488202969
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)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

12 results found

Lot Number	Certificate Type	Date	Item
C2320211	Certificate of Analysis	Dec 19, 2022	S413599
C2320184	Certificate of Analysis	Dec 19, 2022	S413599
C2320233	Certificate of Analysis	Dec 19, 2022	S413599
C2320250	Certificate of Analysis	Dec 19, 2022	S413599
C2320235	Certificate of Analysis	Dec 19, 2022	S413599
C2320223	Certificate of Analysis	Dec 19, 2022	S413599
C2320175	Certificate of Analysis	Dec 19, 2022	S413599
C2320225	Certificate of Analysis	Dec 19, 2022	S413599
C2320222	Certificate of Analysis	Dec 19, 2022	S413599
C2320183	Certificate of Analysis	Dec 19, 2022	S413599
C2320232	Certificate of Analysis	Dec 19, 2022	S413599
C2320174	Certificate of Analysis	Dec 19, 2022	S413599

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Chemical and Physical Properties

Solubility	Solubility (25°C) In vitro DMSO: 90 mg/mL (199.58 mM); Water: ˂1 mg/mL Ethanol: ˂1 mg/mL
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 Å²
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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