Account 2-(3-(3,3-Dimethyl-5-sulfo-1-(3-sulfopropyl)indolin-2-ylidene)prop-1-en-1-yl)-3,3-dimethyl-1-(6-((4-(6-methyl-1,2,4,5-tetrazin-3-yl)benzyl)amino)-6-oxohexyl)-3H-indol-1-ium-5-sulfonate
- Catalog No. :
- ACYCEX507
- CAS No. :
- 1801924-47-9
- Molecular Formula :
- C42H49N7O10S3
- Molecular Weight :
- 908.09
IUPAC Name:2-((E)-3-((E)-3,3-dimethyl-1-(6-((4-(6-methyl-1,2,4,5-tetrazin-3-yl)benzyl)amino)-6-oxohexyl)-5-sulfoindolin-2-ylidene)prop-1-en-1-yl)-3,3-dimethyl-1-(3-sulfopropyl)-3H-indol-1-ium-5-sulfonate
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Product Information
| Product Name | 2-(3-(3,3-Dimethyl-5-sulfo-1-(3-sulfopropyl)indolin-2-ylidene)prop-1-en-1-yl)-3,3-dimethyl-1-(6-((4-(6-methyl-1,2,4,5-tetrazin-3-yl)benzyl)amino)-6-oxohexyl)-3H-indol-1-ium-5-sulfonate |
|---|---|
| IUPAC Name | 2-((E)-3-((E)-3,3-dimethyl-1-(6-((4-(6-methyl-1,2,4,5-tetrazin-3-yl)benzyl)amino)-6-oxohexyl)-5-sulfoindolin-2-ylidene)prop-1-en-1-yl)-3,3-dimethyl-1-(3-sulfopropyl)-3H-indol-1-ium-5-sulfonate |
| Molecular Formula | C42H49N7O10S3 |
| Molecular Weight | 908.09 |
| SMILES | O=S(CCC[N+]1=C(C=CC=C2N(CCCCCC(NCC3=CC=C(C4=NN=C(C)N=N4)C=C3)=O)C5=C(C=C(S(=O)(O)=O)C=C5)C2(C)C)C(C)(C)C6=C1C=CC(S(=O)(O)=O)=C6)([O-])=O |
| InChI Key | OZCFOARLJNJDKW-UHFFFAOYSA-N |
| Synonym | Sulfo-Cy3-Methyltetrazine;6-Methyl-Tetrazine-Sulfo-Cy3 |
| CAS No. | 1801924-47-9 |
| PubChem CID | 154726565 |
Safety Data
- Pictogram
- Signal Word
- Warning
- Hazard Statement(s)
- H302-H315-H319-H335
- Precautionary Statement(s)
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Synthetic Route by SureRoute
2. ACYCEX507 Molecular Building Block Synthetic Route
3-(2-(3-(3,3-Dimethyl-1-(6-((4-(6-methyl-1,2,4,5-tetrazin-3-yl)benzyl)amino)-6-oxohexyl)-5-sulfoindolin-2-ylidene)prop-1-en-1-yl)-3,3-dimethyl-5-sulfo-3H-indol-1-ium-1-yl)propane-1-sulfonate
2-(3-(1-(6-((4-(1,2,4,5-Tetrazin-3-yl)benzyl)amino)-6-oxohexyl)-3,3-dimethyl-5-sulfoindolin-2-ylidene)prop-1-en-1-yl)-3,3-dimethyl-1-(3-sulfopropyl)-3H-indol-1-ium-5-sulfonate
2-((1E,3E,5Z)-5-(3,3-dimethyl-5-sulfo-1-(3-sulfopropyl)indolin-2-ylidene)penta-1,3-dien-1-yl)-3,3-dimethyl-1-(6-((4-(6-Methyl-1,2,4,5-tetrazin-3-yl)benzyl)amino)-6-oxohexyl)-3H-indol-1-ium-5-sulfonate