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DBCO-NHCO-PEG4-acid

CAT: 0804-HY-125541Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-125541Size:1 Each
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Description
DBCO-Amide-PEG5-acid is a PEG-based PROTAC linker can be used in the synthesis of PROTACs. DBCO-Amide-PEG5-acid is a cleavable ADC linker used in the synthesis of antibody-drug conjugates (ADCs) [1]. DBCO-NHCO-PEG4-acid 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
1870899-46-9
UNSPSC
12352203
Hazard Statement
H315-H319-H335
Target
ADC Linker; PROTAC Linkers
Type
ADC Related
Related Pathways
Antibody-drug Conjugate/ADC Related; PROTAC
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/dbco-nhco-peg4-acid.html
Solubility
10 mM in DMSO
Smiles
O=C(N1CC2=C(C#CC3=C1C=CC=C3)C=CC=C2)CCNC(CCOCCOCCOCCOCCOCCC(O)=O)=O
Molecular Formula
C32H40N2O9
Molecular Weight
596.67
Precautions
P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501
References & Citations
[1]Vukic Soskic, et al. Method for binding biologically active molecules to surfaces. DE102014215208A1.
Shipping Conditions
Room temperature
Scientific Category
ADC Related
Clinical Information
No Development Reported
Isoform
Cleavable Linker; PEG Linkers

Chemical Information

DBCO-NHCO-PEG5-acid
CAS Number1870899-46-9
PubChem CID86580457
IUPAC Name3-[2-[2-[2-[2-[3-[[3-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxopropyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
Molecular FormulaC32H40N2O9
Molecular Weight596.7
XLogP0.8
Topological Polar Surface Area133
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count21
Heavy Atom Count43
Formal Charge0
Complexity902
SMILES
C1C2=CC=CC=C2C#CC3=CC=CC=C3N1C(=O)CCNC(=O)CCOCCOCCOCCOCCOCCC(=O)O
InChI
InChI=1S/C32H40N2O9/c35-30(12-15-39-17-19-41-21-23-43-24-22-42-20-18-40-16-13-32(37)38)33-14-11-31(36)34-25-28-7-2-1-5-26(28)9-10-27-6-3-4-8-29(27)34/h1-8H,11-25H2,(H,33,35)(H,37,38)
InChIKey
IBWIRDQMNBYUPH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of DBCO-NHCO-PEG5-acid
CAS: 1870899-46-9
CID: 86580457
Formula: C32H40N2O9
MW: 596.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight596.7
XLogP30.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count21
Exact Mass596.27338086
Monoisotopic Mass596.27338086
Topological Polar Surface Area133 Ų
Heavy Atom Count43
Formal Charge0
Complexity902
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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