2,4-Difluorophenylethynylcobalamin

2,4-Difluorophenylethynylcobalamin

• CAS Number: 2101750-19-8
• UNSPSC Description: 2,4-Difluorophenylethynylcobalamin is a potential B12 antivitamin via binding to human B12 -processing enzyme CblC with high affinity (KD=130 nm). 2,4-Difluorophenylethynylcobalamin withstood tailoring by CblC, and stabilizes the ternary complex with the cosubstrate glutathione (GSH)[1]. 2,4-Difluorophenylethynylcobalamin is a click chemistry reagent, it contains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.
• Target Antigen: Others
• Type: Reference compound
• Related Pathways: Others
• Field of Research: Others
• Assay Protocol: https://www.medchemexpress.com/2-4-difluorophenylethynylcobalamin.html
• Solubility: DMSO : 100 mg/mL (ultrasonic)
• Smiles: C[C@]1([C@](C)2CC(N)=O)[N]([Co+3]([N-]3[C@]1([H])[C@@H]4CC(N)=O)([N](C([C@](C)5CC(N)=O)=C6C)=C7[C@H]5CCC(N)=O)([N](C(C(C)8C)=C7)=C([C@H]8CCC(N)=O)C(C)=C3[C@@]4(CCC(NC[C@H]9C)=O)C)([N](C%10=C%11)=CN([C@@H](O[C@@H]%12CO)[C@]([C@@H]%12O[P]([O-])(O9)=O)([H])O)C%10=CC(C)=C%11C)[C-]#CC(C=CC(F)=C%13)=C%13F)=C6[C@H]2CCC(N)=O
• Molecular Weight: 1466.45
• References & Citations: [1]Ruetz M, et al. Antivitamin B12 Inhibition of the Human B12 -Processing Enzyme CblC: Crystal Structure of an Inactive Ternary Complex with Glutathione as the Cosubstrate. Angew Chem Int Ed Engl. 2017 Jun 19;56(26):7387-7392.
• Shipping Conditions: Room Temperature
• Clinical Information: No Development Reported