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DBCO-PEG4-DBCO

CAT: 0013-GTR19215869-02Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19215869-02Size:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
DBCO-PEG4-DBCO is a cleavable, homobifunctional linker utilized in constructing antibody-drug conjugates (ADCs) for targeted cancer therapy. Its design enables precise drug attachment and subsequent release within cells, facilitating both in vitro biochemical studies and in vivo preclinical research on therapeutic efficacy.
CAS Number
2182601-68-7
Field of Research
Pharmacology & Drug Discovery
Smiles
C (CCNC (CCOCCOCCOCCOCCC (NCCC (=O) N1C=2C (C#CC=3C (C1) =CC=CC3) =CC=CC2) =O) =O) (=O) N4C=5C (C#CC=6C (C4) =CC=CC6) =CC=CC5
Molecular Formula
C48H50N4O8
Molecular Weight
810.93
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Dbco-peg4-dbco
CAS Number2182601-68-7
PubChem CID129627656
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-[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]propanamide
Molecular FormulaC48H50N4O8
Molecular Weight810.9
XLogP3.3
Topological Polar Surface Area136
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count21
Heavy Atom Count60
Formal Charge0
Complexity1420
SMILES
C1C2=CC=CC=C2C#CC3=CC=CC=C3N1C(=O)CCNC(=O)CCOCCOCCOCCOCCC(=O)NCCC(=O)N4CC5=CC=CC=C5C#CC6=CC=CC=C64
InChI
InChI=1S/C48H50N4O8/c53-45(49-25-21-47(55)51-35-41-13-3-1-9-37(41)17-19-39-11-5-7-15-43(39)51)23-27-57-29-31-59-33-34-60-32-30-58-28-24-46(54)50-26-22-48(56)52-36-42-14-4-2-10-38(42)18-20-40-12-6-8-16-44(40)52/h1-16H,21-36H2,(H,49,53)(H,50,54)
InChIKey
YCDMQCKYINAWGI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dbco-peg4-dbco
CAS: 2182601-68-7
CID: 129627656
Formula: C48H50N4O8
MW: 810.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight810.9
XLogP33.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count21
Exact Mass810.36286457
Monoisotopic Mass810.36286457
Topological Polar Surface Area136 Ų
Heavy Atom Count60
Formal Charge0
Complexity1420
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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