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DBCO-PEG2-C2-acid

CAT: 0013-GTR19237485-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19237485-02Size:10 mg
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Description
DBCO-PEG2-C2-acid is a heterobifunctional linker used in constructing Antibody-Drug Conjugates (ADCs) for targeted cancer therapy research. Its DBCO group enables efficient, copper-free click chemistry conjugation to azide-modified antibodies, while the acid terminus allows attachment of cytotoxic payloads for both in vitro and in vivo experimental applications.
CAS Number
2305845-07-0
Field of Research
Metabolism Research
Smiles
O=C (O) COCCOCCNC (=O) CCC (=O) N1C=2C=CC=CC2C#CC=3C=CC=CC3C1
Molecular Formula
C25H26N2O6
Molecular Weight
450.48
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

DBCO-PEG2-C2-acid
CAS Number2305845-07-0
PubChem CID155023937
IUPAC Name2-[2-[2-[[4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxobutanoyl]amino]ethoxy]ethoxy]acetic acid
Molecular FormulaC25H26N2O6
Molecular Weight450.5
XLogP1.4
Topological Polar Surface Area105
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count11
Heavy Atom Count33
Formal Charge0
Complexity742
SMILES
C1C2=CC=CC=C2C#CC3=CC=CC=C3N1C(=O)CCC(=O)NCCOCCOCC(=O)O
InChI
InChI=1S/C25H26N2O6/c28-23(26-13-14-32-15-16-33-18-25(30)31)11-12-24(29)27-17-21-7-2-1-5-19(21)9-10-20-6-3-4-8-22(20)27/h1-8H,11-18H2,(H,26,28)(H,30,31)
InChIKey
TYLQGQGJQHWMCO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of DBCO-PEG2-C2-acid
CAS: 2305845-07-0
CID: 155023937
Formula: C25H26N2O6
MW: 450.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight450.5
XLogP31.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count11
Exact Mass450.17908655
Monoisotopic Mass450.17908655
Topological Polar Surface Area105 Ų
Heavy Atom Count33
Formal Charge0
Complexity742
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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