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Biotin-PEG4-azide

CAT: 0804-HY-140910-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-140910-01Size:25 mg
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Description
Biotin-PEG4-azide is a biotin-labeled, PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1]. Biotin-PEG4-azide is a click chemistry reagent, it contains an Azide group and can undergo copper-catalyzed azide-alkyne cycloaddition reaction (CuAAc) with molecules containing Alkyne groups. It can also undergo strain-promoted alkyne-azide cycloaddition (SPAAC) reactions with molecules containing DBCO or BCN groups.
CAS Number
1309649-57-7
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
PROTAC Linkers
Type
Reference compound
Related Pathways
PROTAC
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/biotin-peg4-azide.html
Purity
99.75
Solubility
DMSO : ≥ 100 mg/mL
Smiles
O=C(NCCOCCOCCOCCOCCN=[N+]=[N-])CCCC[C@@H]1SC[C@]([C@]1([H])N2)([H])NC2=O
Molecular Formula
C20H36N6O6S
Molecular Weight
488.60
Precautions
H302, H315, H319, H335
References & Citations
[1]Gadd MS, et al. Structural basis of PROTAC cooperative recognition for selective protein degradation. Nat Chem Biol. 2017 May;13 (5) :514-521.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C (Powder, sealed storage, away from moisture)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
PEG Linkers

Chemical Information

Biotin-PEG4-Azide
CAS Number1309649-57-7
PubChem CID77078236
IUPAC Name5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethyl]pentanamide
Molecular FormulaC20H36N6O6S
Molecular Weight488.6
XLogP0.4
Topological Polar Surface Area147
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count20
Heavy Atom Count33
Formal Charge0
Complexity624
SMILES
C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCOCCOCCOCCOCCN=[N+]=[N-])NC(=O)N2
InChI
InChI=1S/C20H36N6O6S/c21-26-23-6-8-30-10-12-32-14-13-31-11-9-29-7-5-22-18(27)4-2-1-3-17-19-16(15-33-17)24-20(28)25-19/h16-17,19H,1-15H2,(H,22,27)(H2,24,25,28)/t16-,17-,19-/m0/s1
InChIKey
PVEHVEYAPUNCCP-LNLFQRSKSA-N
Chemical Structure
2D Structure
2D structure of Biotin-PEG4-Azide
CAS: 1309649-57-7
CID: 77078236
Formula: C20H36N6O6S
MW: 488.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight488.6
XLogP30.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count20
Exact Mass488.24170406
Monoisotopic Mass488.24170406
Topological Polar Surface Area147 Ų
Heavy Atom Count33
Formal Charge0
Complexity624
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes