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Selisistat (EX 527)

CAT: 0957-S1541-10mgSize: 10 mgDry Ice: YesHazardous: No
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CAT#:0957-S1541-10mgSize:10 mg
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CAS Number
49843-98-3
Synonyms
SEN0014196
Target
Sirtuin
Applications
DNA Damage/DNA Repair
Smiles
C1CC (C2=C (C1) C3=C (N2) C=CC (=C3) Cl) C (=O) N
Molecular Formula
C13H13ClN2O
Additionnal Information
Selisistat (EX 527, SEN0014196) is a potent and selective SIRT1 inhibitor with IC50 of 38 nM in a cell-free assay, exhibits >200-fold selectivity against SIRT2 and SIRT3. Phase 2.
Storage Conditions
2 years -80 in solvent

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