DBCO-PEG4-DBCO

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DBCO-PEG4-DBCO

DBCO-PEG4-DBCO | 2182601-68-7

Catalog Number R01-0377
Category Cycloalkyne Dyes (DBCO)
Molecular Formula C48H50N4O8
Molecular Weight 810.93
Catalog Number Size Price Quantity
R01-0377 -- $--

Product Introduction

DBCO-PEG4-DBCO is a cleavable ADC linker used in the synthesis of antibody-drug conjugates (ADCs).

Chemical Information

Synonyms N-[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; N,N'-bis(3-{2-azatricyclo[10.4.0.0,hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl}-3-oxopropyl)-4,7,10,13-tetraoxahexadecanediamide
Purity >98.0%
Shelf Life 0-4°C for short term (days to weeks), or -20°C for long term (months).
IUPAC Name N-[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
Canonical 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)
InChI Key YCDMQCKYINAWGI-UHFFFAOYSA-N
Solubility 10 mm in DMSO
Appearance Solid
  • Product Specification
Storage Store at -20 °C, keep in dry and avoid sunlight.

Computed Properties

XLogP3 3.3
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 8
Rotatable Bond Count 21
Exact Mass 810.36286457 g/mol
Monoisotopic Mass 810.36286457 g/mol
Topological Polar Surface Area 136Ų
Heavy Atom Count 60
Formal Charge 0
Complexity 1420
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes
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