ChemicalBook--->CAS DataBase List--->2454181-83-8

2454181-83-8

2454181-83-8 Structure

2454181-83-8 Structure
IdentificationBack Directory
[Name]

Butanedioic acid, 2-methylene-, 4-(7-octyn-1-yl) ester
[CAS]

2454181-83-8
[Synonyms]

Itaconate-alkyne
Butanedioic acid, 2-methylene-, 4-(7-octyn-1-yl) ester
GSN,labeling,bioorthogonal,DDB1,AK2,Itaconatealkyne,Itaconation,LPS,probe,site-specific,Itaconate,ACLY,Itaconate alkyne,NRF-2,IL-1β,Inhibitor,quantitative,chemoproteomic,inhibit,Itaconate-alkyne,Raw264.7,antiinflammatory
[Molecular Formula]

C13H18O4
[MOL File]

2454181-83-8.mol
[Molecular Weight]

238.28
Chemical PropertiesBack Directory
[Boiling point ]

385.4±32.0 °C(Predicted)
[density ]

1.083±0.06 g/cm3(Predicted)
[storage temp. ]

Store at -20°C
[solubility ]

DMF: 30 mg/ml,DMSO: 30 mg/ml,Ethanol: 30 mg/ml
[form ]

A crystalline solid
[pka]

3.83±0.11(Predicted)
[color ]

White to off-white
Hazard InformationBack Directory
[Uses]

Itaconate-alkyne (ITalk) is a specific bioorthogonal probe for quantitative and site-specific chemoproteomic profiling of Itaconation in living cells. Itaconate-alkyne, a functional analogue of Itaconate, exhibits comparable antiinflammatory effect with Itaconate and enables the labeling of bona fide targets of Itaconate[1]. Itaconate-alkyne is a click chemistry reagent, it contains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.
[storage]

Store at -20°C
[References]

[1] Wei Qin, et al. Chemoproteomic Profiling of Itaconation by Bioorthogonal Probes in Inflammatory Macrophages. J Am Chem Soc . 2020 Jun 24;142(25):10894-10898. DOI:10.1021/jacs.9b11962
Spectrum DetailBack Directory
[Spectrum Detail]

Butanedioic acid, 2-methylene-, 4-(7-octyn-1-yl) ester(2454181-83-8)1HNMR
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