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DBCO-PEG1

CAT: 0804-HY-140280-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-140280-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
DBCO-PEG1 is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1]. DBCO-PEG1 is a click chemistry reagent, it contains a DBCO group that can undergo strain-promoted alkyne-azide cycloaddition (SPAAC) with molecules containing Azide groups.
CAS Number
1839049-33-0
UNSPSC
12352005
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/dbco-peg1.html
Solubility
10 mM in DMSO
Smiles
O=C(N1C2=CC=CC=C2C#CC3=CC=CC=C3C1)CCC(NCCO)=O
Molecular Formula
C21H20N2O3
Molecular Weight
348.40
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
PEG Linkers

Chemical Information

DBCO-C2-alcohol
CAS Number1839049-33-0
PubChem CID139593588
IUPAC Name4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-N-(2-hydroxyethyl)-4-oxobutanamide
Molecular FormulaC21H20N2O3
Molecular Weight348.4
XLogP1.4
Topological Polar Surface Area69.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count26
Formal Charge0
Complexity576
SMILES
C1C2=CC=CC=C2C#CC3=CC=CC=C3N1C(=O)CCC(=O)NCCO
InChI
InChI=1S/C21H20N2O3/c24-14-13-22-20(25)11-12-21(26)23-15-18-7-2-1-5-16(18)9-10-17-6-3-4-8-19(17)23/h1-8,24H,11-15H2,(H,22,25)
InChIKey
KCIDEKJZCAKKOQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of DBCO-C2-alcohol
CAS: 1839049-33-0
CID: 139593588
Formula: C21H20N2O3
MW: 348.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight348.4
XLogP31.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass348.14739250
Monoisotopic Mass348.14739250
Topological Polar Surface Area69.6 Ų
Heavy Atom Count26
Formal Charge0
Complexity576
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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T17780-01DBCO-PEG1
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