| Ro 26-4550 trifluoroacetatereversible inhibitor of interleukin-2 (IL-2) binding to its receptor |
Sample solution is provided at 25 µL, 10mM.
Nature.2017 Jan 19;541(7637):417-420.
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- Purity = 98.00%
- COA (Certificate Of Analysis)
- MSDS (Material Safety Data Sheet)
Chemical structure
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| Cas No. | 1217448-66-2 | SDF | Download SDF |
| Chemical Name | (S)-methyl 2-(2-((R)-1-carbamimidoylpiperidin-3-yl)acetamido)-3-(4-(phenylethynyl)phenyl)propanoate 2,2,2-trifluoroacetate | ||
| Canonical SMILES | OC(C(F)(F)F)=O.NC(N1CCC[C@H](CC(N[C@H](C(OC)=O)CC2=CC=C(C#CC3=CC=CC=C3)C=C2)=O)C1)=N | ||
| Formula | C26H30N4O3.CF3CO2H | M.Wt | 560.57 |
| Solubility | <28.03mg l="" in="" dmso;=""><2.8mg l="" in="" ethanol=""> | Storage | Store at -20°C |
| Physical Appearance | White solid | Shipping Condition | Evaluation sample solution : ship with blue ice.All other available size:ship with RT , or blue ice upon request |
| General tips | For obtaining a higher solubility , please warm the tube at 37 ℃ and shake it in the ultrasonic bath for a while.Stock solution can be stored below -20℃ for several months. | ||
IC50: 3 μM
Ro 26-4550 trifluoroacetate is a competitive reversible inhibitor of interleukin-2 (IL-2) binding to its receptor [1].
Interleukin-2 (IL-2) (a 15.5 kDa cytokine) plays a predominant role in the growth of activated T cells. IL-2 induces T-cell proliferation followed by binding on the T-cell surface with picomolar affinity to a heterotrimeric receptor complex (consisting of R, , andchains). It has proven clinically effective as immunosuppressive agents that antibodies recognize the R receptor subunit (IL-2RR) and discrupte IL-2 binding. Small molecules are capable of preventing the IL-2/IL-2RR interaction as potential orally active successors to the antibody drugs [1].
In vitro: The region of IL-2 perturbed by association with Ro 26-4550 was shown to be involved in the binding to IL-2RR. This suggests that Ro 26-4550 competes with IL-2RR for its binding site on IL-2 to interfer with IL-2/IL-2RR binding. [1] .
Analyses of the X-ray structure of Ro 26-4550 binding at the “hot spot” of IL-2 showed that the protein is changeable and then undergo significant rearrangements to create the small molecule binding site. This observation refutes the perception that protein-protein interactions are flat and featureless and indicates that the surface of IL-2 could exist additional nonobvious binding sites (binding a small molecule with high affinity). However, accurate structure-based predictions will be more difficult because of the adaptive nature of the site [2].
In vivo: So far, no study in vivo has been conducted.
Clinical trial: So far, no clinical study has been conducted.
References:[1]. Tilley JW, Chen L, Fry DC, Emerson SD, Powers GD, Biondi D, Varnell T, Trilles R, Guthrie R, Mennona F, Kaplan G, LeMahieu RA, Carson M, Han R-J, Liu C-M, Palermo R, Ju G. Identification of a small molecule inhibitor of the IL-2/IL-2Rr receptor interaction which binds to IL-2. J. Am. Chem. Soc. 1997, 119, 7589-7590[2] Braisted AC, Oslob JD, Delano WL, Hyde J, McDowell RS, Waal N, Yu C, Arkin MR, Raimundo BC. Discovery of a potent small molecule IL-2 inhibitor through fragment assembly. J Am Chem Soc. 2003 Apr 2;125(13):3714-5.
