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PROTAC Sirt2 Degrader-1

CAT: 0013-GTR19226180-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19226180-01Size:100 mg
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Description
PROTAC Sirt2 Degrader-1 is a heterobifunctional molecule that selectively degrades Sirt2 by linking a potent Sirt2 inhibitor to a cereblon E3 ligase ligand. It exhibits high selectivity with an IC50 of 0.25 μM for Sirt2 over Sirt1/3. This tool compound is used in vitro and in vivo to study Sirt2's role in cancer, neurodegeneration, and other cellular processes.
CAS Number
2098487-75-1
Field of Research
Cell Biology, Epigenetics & Chromatin, Molecular Biology, Pharmacology & Drug Discovery
Smiles
Cc1cc (C) nc (SCC (=O) Nc2ncc (Cc3cccc (OCc4cn (CCCCNC (=O) COc5cccc6C (=O) N (C7CCC (=O) NC7=O) C (=O) c56) nn4) c3) s2) n1
Molecular Formula
C40H40N10O8S2
Molecular Weight
852.94
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

PROTAC Sirt2 Degrader-1
CAS Number2098487-75-1
PubChem CID135397670
IUPAC NameN-[4-[4-[[3-[[2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]-1,3-thiazol-5-yl]methyl]phenoxy]methyl]triazol-1-yl]butyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide
Molecular FormulaC40H40N10O8S2
Molecular Weight852.9
XLogP3.2
Topological Polar Surface Area283
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count15
Rotatable Bond Count18
Heavy Atom Count60
Formal Charge0
Complexity1540
SMILES
CC1=CC(=NC(=N1)SCC(=O)NC2=NC=C(S2)CC3=CC(=CC=C3)OCC4=CN(N=N4)CCCCNC(=O)COC5=CC=CC6=C5C(=O)N(C6=O)C7CCC(=O)NC7=O)C
InChI
InChI=1S/C40H40N10O8S2/c1-23-15-24(2)44-40(43-23)59-22-34(53)46-39-42-18-28(60-39)17-25-7-5-8-27(16-25)57-20-26-19-49(48-47-26)14-4-3-13-41-33(52)21-58-31-10-6-9-29-35(31)38(56)50(37(29)55)30-11-12-32(51)45-36(30)54/h5-10,15-16,18-19,30H,3-4,11-14,17,20-22H2,1-2H3,(H,41,52)(H,42,46,53)(H,45,51,54)
InChIKey
GRYRXFYWVDWPQY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of PROTAC Sirt2 Degrader-1
CAS: 2098487-75-1
CID: 135397670
Formula: C40H40N10O8S2
MW: 852.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight852.9
XLogP33.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count15
Rotatable Bond Count18
Exact Mass852.24720062
Monoisotopic Mass852.24720062
Topological Polar Surface Area283 Ų
Heavy Atom Count60
Formal Charge0
Complexity1540
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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Alternative Products

CatalogName
HY-103636-01PROTAC Sirt2 Degrader-1
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A20005-5PROTAC Sirt2 Degrader-1 5mg
A20005-100PROTAC Sirt2 Degrader-1 100mg
A20005-25PROTAC Sirt2 Degrader-1 25mg
A20005-50PROTAC Sirt2 Degrader-1 50mg
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