Determine the necessary mass, volume, or concentration for preparing a solution.
≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
DBCO-CONH-S-S-NHS ester is a cleavable ADC linker used in the synthesis of antibody-drug conjugates (ADCs)
In Vitro
ADCs are comprised of an antibody to which is attached an ADC cytotoxin through an ADC linker. MCE has not independently confirmed the accuracy of these methods. They are for reference only.
Form:Solid
IC50& Target:Disulfide Cleavable Cleavable
| Canonical Smiles | C1CC(=O)N(C1=O)OC(=O)CCSSCCNC(=O)CCC(=O)N2CC3=CC=CC=C3C#CC4=CC=CC=C42 |
|---|---|
| IUPAC Name | (2,5-dioxopyrrolidin-1-yl) 3-[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]ethyldisulfanyl]propanoate |
| InChIKey | RPNGUSKTYYIUDE-UHFFFAOYSA-N |
| INCHI | 1S/C28H27N3O6S2/c32-24(29-16-18-39-38-17-15-28(36)37-31-26(34)13-14-27(31)35)11-12-25(33)30-19-22-7-2-1-5-20(22)9-10-21-6-3-4-8-23(21)30/h1-8H,11-19H2,(H,29,32) |
| Isomeric SMILES | C1CC(=O)N(C1=O)OC(=O)CCSSCCNC(=O)CCC(=O)N2CC3=CC=CC=C3C#CC4=CC=CC=C42 |
| PubChem CID | 98233194 |
| Molecular Weight | 565.66 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →| Solubility | DMSO : 100 mg/mL (176.78 mM; Need ultrasonic) |
|---|---|
| Molecular Weight | 565.700 g/mol |
| XLogP3 | 1.700 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 12 |
| Exact Mass | 565.134 Da |
| Monoisotopic Mass | 565.134 Da |
| Topological Polar Surface Area | 164.000 Ų |
| Heavy Atom Count | 39 |
| Formal Charge | 0 |
| Complexity | 992.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |