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TCO-PEG4-NHS ester | CAS 1613439-69-2
| Catalog Number | R15-0045 |
| Category | Trans Cyclooctene (TCO) |
| Molecular Formula | C24H38N2O10 |
| Molecular Weight | 514.57 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
TCO-PEG4-NHS ester enables rapid click chemistry conjugation through its TCO group and amine-reactive NHS ester. It is widely used as an ADC linker in pretargeted drug delivery strategies.
Chemical Information
Product Specification
Computed Properties
Patents
| Synonyms | TCO PEG4 succinimidyl ester; 2,5-dioxopyrrolidin-1-yl (E)-1-(cyclooct-4-en-1-yloxy)-1-oxo-5,8,11,14-tetraoxa-2-azaheptadecan-17-oate |
| Purity | >99.5% |
| Shelf Life | 0-4°C for short term (days to weeks), or -20°C for long term (months). |
| IUPAC Name | |
| Canonical SMILES | C1CC=CCCC(C1)OC(=O)NCCOCCOCCOCCOCCC(=O)ON2C(=O)CCC2=O |
| InChI | InChI=1S/C24H38N2O10/c27-21-8-9-22(28)26(21)36-23(29)10-12-31-14-16-33-18-19-34-17-15-32-13-11-25-24(30)35-20-6-4-2-1-3-5-7-20/h1-2,20H,3-19H2,(H,25,30)/b2-1+ |
| InChIKey | ZKPMRASGLDBKPF-OWOJBTEDSA-N |
| Solubility | 10 mm in DMSO |
| Density | 1.2±0.1 g/cm3 |
| Appearance | Solid |
| LogP | -0.09 |
| Storage | -20°C |
| Signal | Danger |
| GHSHazardStatements | H341 (100%): Suspected of causing genetic defects [Warning Germ cell mutagenicity] H350 (100%): May cause cancer [Danger Carcinogenicity] H371 (100%): May cause damage to organs [Warning Specific target organ toxicity, single exposure] H373 (100%): Causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure] H412 (100%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard] |
| Precautionary Statement Codes | P203, P260, P264, P270, P273, P280, P281, P308+P316, P318, P319, P405, and P501 (The corresponding statement to each P-code can be found at the GHS Classification page.) |
| XLogP3 | 0.6 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 19 |
| Exact Mass | 514.25264541 g/mol |
| Monoisotopic Mass | 514.25264541 g/mol |
| Topological Polar Surface Area | 139Ų |
| Heavy Atom Count | 36 |
| Formal Charge | 0 |
| Complexity | 699 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
| Publication Number | Title | Priority Date |
|---|---|---|
| EP-2913674-A1 | Stepwise assembled capture compounds comprising a cleavable function and method for isolating and/or characterizing biomolecules or biomolecule fragments, in particular proteins or protein fragments, of complex mixtures | 2014-02-28 |
| US-2016349268-A1 | Stepwise assembled capture compounds comprising a cleavable function and method for isolating and/or characterizing biomolecules or biomolecule fragments, in particular proteins or protein fragments, of complex mixtures | 2014-01-28 |
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