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Sulfo DBCO-amine | 2028284-70-8
| Catelog Number | R01-0408 |
| Category | Cycloalkyne Dyes (DBCO) |
| Molecular Formula | C₂₁H₂₁N₃O₅S |
| Molecular Weight | 427.47 |
| Catalog Number | Size | Price | Quantity |
|---|---|---|---|
| R01-0408 | -- | $-- |
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Product Introduction
Sulfo DBCO-amine is a click chemistry reagent, which can be used as a PROTAC linker for the synthesis of PROTACs.
Chemical Information |
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| Synonyms | SulfoDBCO-Amine; 2-amino-1-[(3-{2-azatricyclo[10.4.0.0,hexadeca-1(12),4(9),5,7,13,15-hexaen-10-yn-2-yl}-3-oxopropyl)carbamoyl]ethane-1-sulfonic acid; 3-amino-1-[[3-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxopropyl]amino]-1-oxopropane-2-sulfonic acid |
| Purity | 95% |
| IUPAC Name | 3-amino-1-[[3-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxopropyl]amino]-1-oxopropane-2-sulfonic acid |
| Canonical SMILES | C1C2=CC=CC=C2C#CC3=CC=CC=C3N1C(=O)CCNC(=O)C(CN)S(=O)(=O)O |
| InChI | InChI=1S/C21H21N3O5S/c22-13-19(30(27,28)29)21(26)23-12-11-20(25)24-14-17-7-2-1-5-15(17)9-10-16-6-3-4-8-18(16)24/h1-8,19H,11-14,22H2,(H,23,26)(H,27,28,29) |
| InChI Key | LPNNWQSOQIRTRP-UHFFFAOYSA-N |
Product Specification |
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| Storage | Please store the product under the recommended conditions in the Certificate of Analysis. |
Computed Properties | |
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| XLogP3 | -2.1 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 6 |
| Exact Mass | 427.12019195 g/mol |
| Monoisotopic Mass | 427.12019195 g/mol |
| Topological Polar Surface Area | 138Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 810 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| 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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