| Identification | Back Directory | [Name]
Tetrazine-Acid | [CAS]
1380500-92-4 | [Synonyms]
Tetrazine-Acid
Tetrazine-Ph-acid
3-(4-phenylacetic acid)-1,2,4,5-tetrazine
2-(4-(1,2,4,5-tetrazin-3-yl)phenyl)acetic acid
Benzeneacetic acid, 4-(1,2,4,5-tetrazin-3-yl)- | [Molecular Formula]
C10H8N4O2 | [MDL Number]
MFCD24503098 | [MOL File]
1380500-92-4.mol | [Molecular Weight]
216.2 |
| Chemical Properties | Back Directory | [Boiling point ]
477.1±47.0 °C(Predicted) | [density ]
1.394±0.06 g/cm3(Predicted) | [storage temp. ]
-20°C | [solubility ]
DMSO : 50 mg/mL (231.27 mM; Need ultrasonic) | [form ]
Solid | [pka]
3.66±0.10(Predicted) | [color ]
Pink to red | [InChI]
InChI=1S/C10H8N4O2/c15-9(16)5-7-1-3-8(4-2-7)10-13-11-6-12-14-10/h1-4,6H,5H2,(H,15,16) | [InChIKey]
SLJKKTFIAUAYGR-UHFFFAOYSA-N | [SMILES]
C1(CC(O)=O)=CC=C(C2=NN=CN=N2)C=C1 |
| Hazard Information | Back Directory | [Description]
Tetrazine-Acid was found the fastest kinetics for bioorthogonal reaction with trans-cyclooctene (TCO) as the dienophile. The chemical stability of tetrazines is lower compared to methyltetrazines, but it is in acceptable range and thus can be applied for many applications. | [Uses]
Tetrazine-acid demonstrates exceptionally fast cycloaddition kinetics with trans-cyclooctene (TCO) as the dienophile (up to 30,000 M-1 s-1). These have been the fastest kinetics reported for a bio orthogonal reaction. The chemical stability of tetrazines is substantially lower compared to methyltetrazines, thus requiring more careful selection of reagents and conditions for chemical transformation. However, tetrazine chemistry is still in an acceptable range for many applications. | [IC 50]
Alkyl-Chain |
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Sigma-Aldrich
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