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DBCO-PEG4-Maleimide

CAT: 0804-HY-120770-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-120770-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
DBCO-PEG4-Maleimide is a non-cleavable ADC linker used in the synthesis of antibody-drug conjugates (ADCs) [1]. DBCO-PEG4-Maleimide 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
1480516-75-3
UNSPSC
12352203
Hazard Statement
H302, H315, H319, H335
Target
ADC Linker
Type
ADC Related
Related Pathways
Antibody-drug Conjugate/ADC Related
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/dbco-peg4-maleimide.html
Purity
98.02
Solubility
DMSO : 50 mg/mL (ultrasonic)
Smiles
O=C(NCCC(N1CC2=C(C#CC3=C1C=CC=C3)C=CC=C2)=O)CCOCCOCCOCCOCCNC(CCN4C(C=CC4=O)=O)=O
Molecular Formula
C36H42N4O9
Molecular Weight
674.74
Precautions
H302, H315, H319, H335
References & Citations
[1]Xiaotian Zhong, et al. Capped and uncapped antibody cysteines, and their use in antibody-drug conjugation. WO2017025897A2.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C (Powder, protect from light, stored under nitrogen)
Scientific Category
ADC Related
Clinical Information
No Development Reported
Isoform
Non-cleavable Linker

Chemical Information

DBCO-PEG4-Maleimide
CAS Number1480516-75-3
PubChem CID86580488
IUPAC NameN-[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]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide
Molecular FormulaC36H42N4O9
Molecular Weight674.7
XLogP0
Topological Polar Surface Area153
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count21
Heavy Atom Count49
Formal Charge0
Complexity1190
SMILES
C1C2=CC=CC=C2C#CC3=CC=CC=C3N1C(=O)CCNC(=O)CCOCCOCCOCCOCCNC(=O)CCN4C(=O)C=CC4=O
InChI
InChI=1S/C36H42N4O9/c41-32(14-18-39-34(43)11-12-35(39)44)38-17-20-47-22-24-49-26-25-48-23-21-46-19-15-33(42)37-16-13-36(45)40-27-30-7-2-1-5-28(30)9-10-29-6-3-4-8-31(29)40/h1-8,11-12H,13-27H2,(H,37,42)(H,38,41)
InChIKey
VVFZXPZWVJMYPX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of DBCO-PEG4-Maleimide
CAS: 1480516-75-3
CID: 86580488
Formula: C36H42N4O9
MW: 674.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight674.7
XLogP30
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count21
Exact Mass674.29517893
Monoisotopic Mass674.29517893
Topological Polar Surface Area153 Ų
Heavy Atom Count49
Formal Charge0
Complexity1190
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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