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SirReal1-O-propargyl

CAT: 0013-GTR19225021-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19225021-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
SirReal1-O-propargyl is a potent and selective Sirtuin 2 (SIRT2) inhibitor with an IC50 of 2.4 μM. It serves as a versatile PROTAC ligand, and its propargyl moiety facilitates click chemistry conjugation for probe development. This compound is a valuable tool for studying SIRT2 biology in cellular and biochemical assays.
CAS Number
1862237-99-7
Product Name Alternative
IC50: 2.4 μM (Sirt2), SirReal1-O-propargyl, SirReal-1-O-propargyl, SirReal1 O propargyl, SirReal1Opropargyl, PROTAC Sirt2-binding moiety 1
Field of Research
Epigenetics & Chromatin, Molecular Biology, Pharmacology & Drug Discovery
Purity
99.97% (May vary between batches)
Smiles
O=C (NC1=NC=C (S1) CC=2C=CC=C (OCC#C) C2) CSC=3N=C (C=C (N3) C) C
Molecular Formula
C21H20N4O2S2
Molecular Weight
424.54
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

SirReal1-O-propargyl
CAS Number1862237-99-7
PubChem CID138319670
IUPAC Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[5-[(3-prop-2-ynoxyphenyl)methyl]-1,3-thiazol-2-yl]acetamide
Molecular FormulaC21H20N4O2S2
Molecular Weight424.5
XLogP4.2
Topological Polar Surface Area131
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Heavy Atom Count29
Formal Charge0
Complexity574
SMILES
CC1=CC(=NC(=N1)SCC(=O)NC2=NC=C(S2)CC3=CC(=CC=C3)OCC#C)C
InChI
InChI=1S/C21H20N4O2S2/c1-4-8-27-17-7-5-6-16(10-17)11-18-12-22-20(29-18)25-19(26)13-28-21-23-14(2)9-15(3)24-21/h1,5-7,9-10,12H,8,11,13H2,2-3H3,(H,22,25,26)
InChIKey
ISDMLEKZQIHDDE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of SirReal1-O-propargyl
CAS: 1862237-99-7
CID: 138319670
Formula: C21H20N4O2S2
MW: 424.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight424.5
XLogP34.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Exact Mass424.10276824
Monoisotopic Mass424.10276824
Topological Polar Surface Area131 Ų
Heavy Atom Count29
Formal Charge0
Complexity574
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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