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Biotin-PEG6-azide

CAT: 0804-HY-140911-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-140911-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Biotin-PEG6-azide is a biotin-labeled, PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1]. Biotin-PEG6-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
1085938-09-5
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-peg6-azide.html
Purity
99.89
Solubility
DMSO : 100 mg/mL (ultrasonic; warming; heat to 60°C)
Smiles
O=C(CCCC[C@@H]1SC[C@]([H])(N2)[C@@]1(NC2=O)[H])NCCOCCOCCOCCOCCOCCOCCN=[N+]=[N-]
Molecular Formula
C24H44N6O8S
Molecular Weight
576.71
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
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
PEG Linkers

Chemical Information

Biotin-PEG6-azide
CAS Number1085938-09-5
PubChem CID102313005
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-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pentanamide
Molecular FormulaC24H44N6O8S
Molecular Weight576.7
XLogP0.1
Topological Polar Surface Area165
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count11
Rotatable Bond Count26
Heavy Atom Count39
Formal Charge0
Complexity718
SMILES
C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCOCCOCCOCCOCCOCCOCCN=[N+]=[N-])NC(=O)N2
InChI
InChI=1S/C24H44N6O8S/c25-30-27-6-8-34-10-12-36-14-16-38-18-17-37-15-13-35-11-9-33-7-5-26-22(31)4-2-1-3-21-23-20(19-39-21)28-24(32)29-23/h20-21,23H,1-19H2,(H,26,31)(H2,28,29,32)/t20-,21-,23-/m0/s1
InChIKey
WTVVCWJIXLJVCQ-FUDKSRODSA-N
Chemical Structure
2D Structure
2D structure of Biotin-PEG6-azide
CAS: 1085938-09-5
CID: 102313005
Formula: C24H44N6O8S
MW: 576.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight576.7
XLogP30.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count11
Rotatable Bond Count26
Exact Mass576.29413356
Monoisotopic Mass576.29413356
Topological Polar Surface Area165 Ų
Heavy Atom Count39
Formal Charge0
Complexity718
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

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