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Bis-Sulfone-PEG9-DBCO
| Catalog Number | R01-0328 |
| Category | Cycloalkyne Dyes (DBCO) |
| Molecular Formula | C64H79N3O17S2 |
| Molecular Weight | 1226.5 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
Bis-Sulfone-PEG9-DBCO is a bis-alkylating labeling reagent that is selective for the cysteine sulfur atoms from a native disulfide. These reagents undergo bis-alkylation to conjugate both thiols derived from the two cysteine residues of a reduced native disulfide bond such as the interchain disulfide bonds of an antibody. The reaction results in covalent rebridging of the disulfide bond via a three carbon bridge leaving the protein structurally intact.
Chemical Information
Product Specification
Computed Properties
| Purity | 96% |
| IUPAC Name | N-[2-[2-[2-[2-[2-[2-[2-[2-[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]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-[3-(4-methylphenyl)sulfonyl-2-[(4-methylphenyl)sulfonylmethyl]propanoyl]benzamide |
| Canonical SMILES | CC1=CC=C(C=C1)S(=O)(=O)CC(CS(=O)(=O)C2=CC=C(C=C2)C)C(=O)C3=CC=C(C=C3)C(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCC(=O)N4CC5=CC=CC=C5C#CC6=CC=CC=C64 |
| InChI | InChI=1S/C64H79N3O17S2/c1-50-11-21-58(22-12-50)85(72,73)48-57(49-86(74,75)59-23-13-51(2)14-24-59)63(70)54-17-19-55(20-18-54)64(71)66-28-30-77-32-34-79-36-38-81-40-42-83-44-46-84-45-43-82-41-39-80-37-35-78-33-31-76-29-27-65-61(68)25-26-62(69)67-47-56-9-4-3-7-52(56)15-16-53-8-5-6-10-60(53)67/h3-14,17-24,57H,25-49H2,1-2H3,(H,65,68)(H,66,71) |
| InChIKey | JIIIWDWABQEVGM-UHFFFAOYSA-N |
| Solubility | DMSO, DCM, DMF |
| Storage | -20 °C |
| XLogP3 | 3.9 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 17 |
| Rotatable Bond Count | 42 |
| Exact Mass | 1225.48509041 g/mol |
| Monoisotopic Mass | 1225.48509041 g/mol |
| Topological Polar Surface Area | 264Ų |
| Heavy Atom Count | 86 |
| Formal Charge | 0 |
| Complexity | 2190 |
| 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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