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DBCO-Maleimide

CAT: 0804-HY-116270-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-116270-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
DBCO-Maleimide is a non-cleavable ADC linker used in the synthesis of antibody-drug conjugates (ADCs) [1]. DBCO-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
1395786-30-7
UNSPSC
12352203
Hazard Statement
H302, H361, H372, H410
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-maleimide.html
Purity
99.83
Solubility
DMSO : ≥ 100 mg/mL
Smiles
O=C(NCCC(N1CC2=C(C#CC3=C1C=CC=C3)C=CC=C2)=O)CCN4C(C=CC4=O)=O
Molecular Formula
C25H21N3O4
Molecular Weight
427.45
Precautions
H302, H361, H372, H410
References & Citations
[1]Modified antibody and radioactive metal-labelled antibody. WO2019203191A1.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C (Powder, sealed storage, away from moisture)
Scientific Category
ADC Related
Clinical Information
No Development Reported
Isoform
Non-cleavable Linker

Chemical Information

DBCO-Maleimide
CAS Number1395786-30-7
PubChem CID77078149
IUPAC NameN-[3-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxopropyl]-3-(2,5-dioxopyrrol-1-yl)propanamide
Molecular FormulaC25H21N3O4
Molecular Weight427.5
XLogP1.3
Topological Polar Surface Area86.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count32
Formal Charge0
Complexity849
SMILES
C1C2=CC=CC=C2C#CC3=CC=CC=C3N1C(=O)CCNC(=O)CCN4C(=O)C=CC4=O
InChI
InChI=1S/C25H21N3O4/c29-22(14-16-27-23(30)11-12-24(27)31)26-15-13-25(32)28-17-20-7-2-1-5-18(20)9-10-19-6-3-4-8-21(19)28/h1-8,11-12H,13-17H2,(H,26,29)
InChIKey
NHFQNAGPXIVKND-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of DBCO-Maleimide
CAS: 1395786-30-7
CID: 77078149
Formula: C25H21N3O4
MW: 427.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight427.5
XLogP31.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass427.15320616
Monoisotopic Mass427.15320616
Topological Polar Surface Area86.8 Ų
Heavy Atom Count32
Formal Charge0
Complexity849
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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