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SP2509

CAT: 0804-HY-12635-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-12635-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
SP2509 is a potent and selective antagonist of lysine specific demethylase 1 (LSD1) with an IC50 of 13 nM[1].
CAS Number
1423715-09-6
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Apoptosis; Histone Demethylase
Type
Reference compound
Related Pathways
Apoptosis; Epigenetics
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/SP2509.html
Concentration
10mM
Purity
99.50
Solubility
DMSO : ≥ 33 mg/mL
Smiles
O=C(N/N=C(C1=CC(Cl)=CC=C1O)\C)C2=CC=CC(S(=O)(N3CCOCC3)=O)=C2
Molecular Formula
C19H20ClN3O5S
Molecular Weight
437.90
Precautions
H302, H315, H319, H335
References & Citations
[1]Fiskus W, et al. Highly effective combination of LSD1 (KDM1A) antagonist and pan-histone deacetylase inhibitor against human AML cells. Leukemia. 2014 Nov;28 (11) :2155-64.|[2]Inui K, et al. Stepwise assembly of functional C-terminal REST/NRSF transcriptional repressor complexes as a drug target. Protein Sci. 2017 Feb 20
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, protect from light)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
KDM1/LSD1

Chemical Information

(E)-N'-(1-(5-chloro-2-hydroxyphenyl)ethylidene)-3-(morpholinosulfonyl)benzohydrazide
CAS Number1423715-09-6
PubChem CID135743577
IUPAC NameN-[(E)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-3-morpholin-4-ylsulfonylbenzamide
Molecular FormulaC19H20ClN3O5S
Molecular Weight437.9
XLogP2.1
Topological Polar Surface Area117
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count29
Formal Charge0
Complexity705
SMILES
C/C(=N\NC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCOCC2)/C3=C(C=CC(=C3)Cl)O
InChI
InChI=1S/C19H20ClN3O5S/c1-13(17-12-15(20)5-6-18(17)24)21-22-19(25)14-3-2-4-16(11-14)29(26,27)23-7-9-28-10-8-23/h2-6,11-12,24H,7-10H2,1H3,(H,22,25)/b21-13+
InChIKey
NKUDGJUBIVEDTF-FYJGNVAPSA-N
Chemical Structure
2D Structure
2D structure of (E)-N'-(1-(5-chloro-2-hydroxyphenyl)ethylidene)-3-(morpholinosulfonyl)benzohydrazide
CAS: 1423715-09-6
CID: 135743577
Formula: C19H20ClN3O5S
MW: 437.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight437.9
XLogP32.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass437.0812196
Monoisotopic Mass437.0812196
Topological Polar Surface Area117 Ų
Heavy Atom Count29
Formal Charge0
Complexity705
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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