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DBCO-PEG4-DBCO | 2182601-68-7
Catalog Number | R01-0377 |
Category | Cycloalkyne Dyes (DBCO) |
Molecular Formula | C48H50N4O8 |
Molecular Weight | 810.93 |
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Product Introduction
DBCO-PEG4-DBCO is a cleavable ADC linker used in the synthesis of antibody-drug conjugates (ADCs).
Chemical Information |
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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 | |
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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 |
Applications of Fluorescent Probes & Dyes
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