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MC3138

CAT: 1568-C18341-04Size: 1 gDry Ice: NoHazardous: No
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CAT#:1568-C18341-04Size:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1844889-12-8
SKU
C18341-5mg
Target
Sirtuin
Applications
DNA Damage/DNA Repair
Molecular Formula
C25H25NO6
Additionnal Information
MC3138 is a selective activator of SIRT5 and inhibits proliferation in SIRT5-low PDAC cell lines and organoids by restoring SIRT5-mediated desuccinylation and deacetylation.

Chemical Information

CID 155524917
CAS Number1844889-12-8
PubChem CID155524917
IUPAC Namediethyl 1-benzoyl-4-(3-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate
Molecular FormulaC25H25NO6
Molecular Weight435.5
XLogP3.5
Topological Polar Surface Area82.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Heavy Atom Count32
Formal Charge0
Complexity716
SMILES
CCOC(=O)C1=CN(C=C(C1C2=CC(=CC=C2)OC)C(=O)OCC)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C25H25NO6/c1-4-31-24(28)20-15-26(23(27)17-10-7-6-8-11-17)16-21(25(29)32-5-2)22(20)18-12-9-13-19(14-18)30-3/h6-16,22H,4-5H2,1-3H3
InChIKey
WDDDSHYKJNGLJR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of CID 155524917
CAS: 1844889-12-8
CID: 155524917
Formula: C25H25NO6
MW: 435.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight435.5
XLogP33.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Exact Mass435.16818752
Monoisotopic Mass435.16818752
Topological Polar Surface Area82.1 Ų
Heavy Atom Count32
Formal Charge0
Complexity716
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

Alternative Products

CatalogName
E6635 -100mgMC3138

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