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Sirt2-IN-5

CAT: 0804-HY-115979Size: 1 EachDry Ice: NoHazardous: No
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Description
Sirt2-IN-5 is a potent SIRT2 inhibtor[1].
CAS Number
902456-47-7
UNSPSC
12352005
Target
Sirtuin
Type
Reference compound
Related Pathways
Cell Cycle/DNA Damage; Epigenetics
Applications
Cancer-programmed cell death
Field of Research
Cancer; Neurological Disease
Assay Protocol
https://www.medchemexpress.com/sirt2-in-5.html
Solubility
10 mM in DMSO
Smiles
O=C1C(C2=CC=C(Cl)C=C2)=CC(N3CCOCC3)=NN1CC(N4CCN(C5=CC=CC(Cl)=C5)CC4)=O
Molecular Formula
C26H27Cl2N5O3
Molecular Weight
528.43
References & Citations
[1]Sukuroglu, M.K., et al. The potential of 4-aryl-6-morpholino-3 (2H) -pyridazinone-2-arylpiperazinylacetamide as a new scaffold for SIRT2 inhibition: in silico approach guided by pharmacophore mapping and molecular docking. Med Chem Res 30, 1915–1924 (2021) .
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
SIRT2

Chemical Information

Sirt2-IN-5
CAS Number902456-47-7
PubChem CID11512056
IUPAC Name4-(4-chlorophenyl)-2-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-6-morpholin-4-ylpyridazin-3-one
Molecular FormulaC26H27Cl2N5O3
Molecular Weight528.4
XLogP3.1
Topological Polar Surface Area68.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count36
Formal Charge0
Complexity862
SMILES
C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)CN3C(=O)C(=CC(=N3)N4CCOCC4)C5=CC=C(C=C5)Cl
InChI
InChI=1S/C26H27Cl2N5O3/c27-20-6-4-19(5-7-20)23-17-24(31-12-14-36-15-13-31)29-33(26(23)35)18-25(34)32-10-8-30(9-11-32)22-3-1-2-21(28)16-22/h1-7,16-17H,8-15,18H2
InChIKey
LELIKKNLOSXVAJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Sirt2-IN-5
CAS: 902456-47-7
CID: 11512056
Formula: C26H27Cl2N5O3
MW: 528.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight528.4
XLogP33.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass527.1490951
Monoisotopic Mass527.1490951
Topological Polar Surface Area68.7 Ų
Heavy Atom Count36
Formal Charge0
Complexity862
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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Alternative Products

CatalogName
MBS5806380Sirt2-IN-5
sc-28298SIRT2 (A-5)
sc-28298 FITCSIRT2 (A-5) FITC
sc-28298 PESIRT2 (A-5) PE
sc-28298 ACSIRT2 (A-5) AC
sc-28298 HRPSIRT2 (A-5) HRP
sc-28298 AF488SIRT2 (A-5) Alexa Fluor® 488
sc-28298 AF790SIRT2 (A-5) Alexa Fluor® 790
sc-28298 AF647SIRT2 (A-5) Alexa Fluor® 647
sc-28298 AF594SIRT2 (A-5) Alexa Fluor® 594

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