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SIRT-IN-3

CAT: 0931-T60257Size: 1 mL - 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0931-T60257Size:1 mL - 10 mM (in DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1211-19-4
Target
Others, Sirtuin
Related Pathways
DNA Damage/DNA Repair, Chromatin/Epigenetic, Others
Bioactivity
SIRT-IN-3, a potent inhibitor of SIRT1 with an IC50 value of 17 μM, exhibits approximate 4-fold and 14-fold greater selectivity for SIRT1 over SIRT2 and SIRT3, with respective IC50 values of 74 μM for SIRT2 and 235 μM for SIRT3 [1].
Smiles
NC(=O)c1ccccc1Nc1ccccc1
Molecular Formula
C13H12N2O
Molecular Weight
212.25
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-(Phenylamino)Benzamide
CAS Number1211-19-4
PubChem CID96455
IUPAC Name2-anilinobenzamide
Molecular FormulaC13H12N2O
Molecular Weight212.25
XLogP3.7
Topological Polar Surface Area55.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count16
Formal Charge0
Complexity236
SMILES
C1=CC=C(C=C1)NC2=CC=CC=C2C(=O)N
InChI
InChI=1S/C13H12N2O/c14-13(16)11-8-4-5-9-12(11)15-10-6-2-1-3-7-10/h1-9,15H,(H2,14,16)
InChIKey
JKWQUMKCVDUICQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(Phenylamino)Benzamide
CAS: 1211-19-4
CID: 96455
Formula: C13H12N2O
MW: 212.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight212.25
XLogP33.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass212.094963011
Monoisotopic Mass212.094963011
Topological Polar Surface Area55.1 Ų
Heavy Atom Count16
Formal Charge0
Complexity236
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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HY-133998-01SIRT-IN-3
BA4519-1SIRT-IN-1
BM166497-01Sirt-IN-2
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GTR19249294-01SIRT-IN-7
GTR19262499-01SIRT-IN-4
GTR19249684-01SIRT-IN-6

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