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Selisistat (Standard)

CAT: 0804-HY-15452R-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-15452R-01Size:5 mg
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Description
Selisistat (Standard) is the analytical standard of Selisistat. This product is intended for research and analytical applications. Selisistat (EX-527) is a potent and selective SirT1 (Sir2 in Drosophila melanogaster) inhibitor with an IC50 of 123 nM for SirT1. Selisistat alleviates pathology in multiple animal and cell models of Huntington's disease[1][2].
CAS Number
49843-98-3
UNSPSC
12352100
Hazard Statement
H302, H315, H319, H335
Target
Reference Standards; Sirtuin
Related Pathways
Cell Cycle/DNA Damage; Epigenetics; Others
Field of Research
Cancer; Inflammation/Immunology
Purity
99.93
Smiles
O=C(C1C(NC2=C3C=C(Cl)C=C2)=C3CCC1)N
Molecular Formula
C13H13ClN2O
Molecular Weight
248.71
Precautions
H302, H315, H319, H335
References & Citations
[1]Smith MR, et al. A potent and selective Sirtuin 1 inhibitor alleviates pathology in multiple animal and cell models of Huntington's disease. Hum Mol Genet. 2014;23 (11) :2995-3007.|[2]Napper AD, et al. Discovery of indoles as potent and selective inhibitors of the deacetylase SIRT1 [published correction appears in J Med Chem. 2007 Mar 8;50 (5) :1086]. J Med Chem. 2005;48 (25) :8045-8054.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C, sealed storage, away from light and moisture
Scientific Category
Reference Standards

Chemical Information

EX 527

6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide is a member of the class of carbazoles that is 2,3,4,9-tetrahydro-1H-carbazole which is substituted at position 1 by an aminocarbohyl group and at position 6 by a chlorine. It is a monocarboxylic acid amide, an organochlorine compound and a member of carbazoles.

CAS Number49843-98-3
PubChem CID5113032
IUPAC Name6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide
Molecular FormulaC13H13ClN2O
Molecular Weight248.71
XLogP2.5
Topological Polar Surface Area58.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count17
Formal Charge0
Complexity323
SMILES
C1CC(C2=C(C1)C3=C(N2)C=CC(=C3)Cl)C(=O)N
InChI
InChI=1S/C13H13ClN2O/c14-7-4-5-11-10(6-7)8-2-1-3-9(13(15)17)12(8)16-11/h4-6,9,16H,1-3H2,(H2,15,17)
InChIKey
FUZYTVDVLBBXDL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of EX 527
CAS: 49843-98-3
CID: 5113032
Formula: C13H13ClN2O
MW: 248.71
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight248.71
XLogP32.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass248.0716407
Monoisotopic Mass248.0716407
Topological Polar Surface Area58.9 Ų
Heavy Atom Count17
Formal Charge0
Complexity323
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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