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Br-Boc-C2-azido

CAT: 0804-HY-138464-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-138464-01Size:100 mg
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Description
Br-Boc-C2-azido is an alkyl/ether-based PROTAC linker that can be used in the synthesis of PROTACs[1]. Br-Boc-C2-azido 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
1120364-53-5
UNSPSC
12352211
Hazard Statement
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/br-boc-c2-azido.html
Solubility
10 mM in DMSO
Smiles
CC(C)(Br)C(OCCN=[N+]=[N-])=O
Molecular Formula
C6H10BrN3O2
Molecular Weight
236.07
Precautions
P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501
References & Citations
[1]An S, et al. Small-molecule PROTACs: An emerging and promising approach for the development of targeted therapy drugs. EBioMedicine. 2018 Oct;36:553-562
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
Alkyl/ether Linkers

Chemical Information

Br-Boc-C2-azido
CAS Number1120364-53-5
PubChem CID86650124
IUPAC Name2-azidoethyl 2-bromo-2-methylpropanoate
Molecular FormulaC6H10BrN3O2
Molecular Weight236.07
XLogP2.4
Topological Polar Surface Area40.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count12
Formal Charge0
Complexity211
SMILES
CC(C)(C(=O)OCCN=[N+]=[N-])Br
InChI
InChI=1S/C6H10BrN3O2/c1-6(2,7)5(11)12-4-3-9-10-8/h3-4H2,1-2H3
InChIKey
OYSXPOJKJKBNSG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Br-Boc-C2-azido
CAS: 1120364-53-5
CID: 86650124
Formula: C6H10BrN3O2
MW: 236.07
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight236.07
XLogP32.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass234.99564
Monoisotopic Mass234.99564
Topological Polar Surface Area40.7 Ų
Heavy Atom Count12
Formal Charge0
Complexity211
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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