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Sirtuin modulator 4

CAT: 0804-HY-148312Size: 1 EachDry Ice: NoHazardous: No
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Description
Sirtuin modulator 4 (compound 12) is a sirtuin modulator. Sirtuin modulator 4 shows inhibitory effect to SIRT1 with an EC50 value of 51-100 μM. Sirtuin modulator 4 may be used for the research of increasing the lifespan of a cell, and preventing a wide variety of diseases and disorders including, for example, diabetes, obesity, neurodegenerative diseases, cardiovascular diseases, inflammation and cancer[1].
CAS Number
327104-77-8
UNSPSC
12352005
Target
Sirtuin
Type
Reference compound
Related Pathways
Cell Cycle/DNA Damage; Epigenetics
Applications
COVID-19-anti-virus
Field of Research
Cancer; Inflammation/Immunology; Neurological Disease; Cardiovascular Disease
Assay Protocol
https://www.medchemexpress.com/sirtuin-modulator-4.html
Solubility
10 mM in DMSO
Smiles
N#CC(C(C1=CC2=C(C=CC=C2)O1)=O)C3=NC4=C(S3)C=CC=C4
Molecular Formula
C18H10N2O2S
Molecular Weight
318.35
References & Citations
[1]Milburn Michael, et al. Fused heterocyclic compounds and their use as sirtuin modulators. US7998974. 2011.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
SIRT1

Chemical Information

3-(1-Benzofuran-2-yl)-2-(1,3-benzothiazol-2-yl)-3-oxopropanenitrile
CAS Number327104-77-8
PubChem CID4292482
IUPAC Name3-(1-benzofuran-2-yl)-2-(1,3-benzothiazol-2-yl)-3-oxopropanenitrile
Molecular FormulaC18H10N2O2S
Molecular Weight318.4
XLogP4.4
Topological Polar Surface Area95.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count23
Formal Charge0
Complexity516
SMILES
C1=CC=C2C(=C1)C=C(O2)C(=O)C(C#N)C3=NC4=CC=CC=C4S3
InChI
InChI=1S/C18H10N2O2S/c19-10-12(18-20-13-6-2-4-8-16(13)23-18)17(21)15-9-11-5-1-3-7-14(11)22-15/h1-9,12H
InChIKey
QKHIBBWTWNUTNL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(1-Benzofuran-2-yl)-2-(1,3-benzothiazol-2-yl)-3-oxopropanenitrile
CAS: 327104-77-8
CID: 4292482
Formula: C18H10N2O2S
MW: 318.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight318.4
XLogP34.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass318.04629874
Monoisotopic Mass318.04629874
Topological Polar Surface Area95.1 Ų
Heavy Atom Count23
Formal Charge0
Complexity516
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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