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Sirtinol 25mg

CAT: 0628-A12226-25Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0628-A12226-25Size:25 mg
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CAS Number
410536-97-9

Chemical Information

Sirtinol

Sirtinol is a benzamide obtained by formal condensation of the carboxy group of 2-{[(2-hydroxy-1-naphthyl)methylene]amino}benzoic acid with the amino group of 1-phenylethylamine. It has a role as an EC 3.5.1.98 (histone deacetylase) inhibitor, an anti-inflammatory agent and a Sir2 inhibitor. It is a member of benzamides, a member of naphthols and an aldimine. It is functionally related to an anthranilic acid.

CAS Number410536-97-9
PubChem CID2827646
IUPAC Name2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(1-phenylethyl)benzamide
Molecular FormulaC26H22N2O2
Molecular Weight394.5
XLogP5.3
Topological Polar Surface Area61.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count30
Formal Charge0
Complexity586
SMILES
CC(C1=CC=CC=C1)NC(=O)C2=CC=CC=C2N=CC3=C(C=CC4=CC=CC=C43)O
InChI
InChI=1S/C26H22N2O2/c1-18(19-9-3-2-4-10-19)28-26(30)22-13-7-8-14-24(22)27-17-23-21-12-6-5-11-20(21)15-16-25(23)29/h2-18,29H,1H3,(H,28,30)
InChIKey
UXJFDYIHRJGPFS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Sirtinol
CAS: 410536-97-9
CID: 2827646
Formula: C26H22N2O2
MW: 394.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight394.5
XLogP35.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass394.168127949
Monoisotopic Mass394.168127949
Topological Polar Surface Area61.7 Ų
Heavy Atom Count30
Formal Charge0
Complexity586
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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