VX-11e

• CAT Number: I005365
• CAS Number: 896720-20-0
• Molecular Formula: C₂₄H₂₀Cl₂FN₅O₂
• Molecular Weight: 500.35
• Purity: ≥95%
• Synonyms: 4-[2-(2-chloro-4-fluoroanilino)-5-methylpyrimidin-4-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide
• Target: ERK
• Solubility: in DMSO > 10 mM
• Storage: Store at -20°C
• InChI: InChI=1S/C24H20Cl2FN5O2/c1-13-10-29-24(31-19-6-5-17(27)9-18(19)26)32-22(13)15-8-20(28-11-15)23(34)30-21(12-33)14-3-2-4-16(25)7-14/h2-11,21,28,33H,12H2,1H3,(H,30,34)(H,29,31,32)/t21-/m1/s1
• InChIKey: WUTVMXLIGHTZJC-OAQYLSRUSA-N
• SMILES: CC1=CN=C(N=C1C2=CNC(=C2)C(=O)NC(CO)C3=CC(=CC=C3)Cl)NC4=C(C=C(C=C4)F)Cl

VX-11e(CAT: I005365) is a compound that acts as a potent, selective, and orally bioavailable inhibitor of ERK (Extracellular Signal-Regulated Kinase). ERK is a protein kinase involved in cellular signaling pathways that regulate cell growth, differentiation, and survival. By inhibiting ERK, VX-11e can modulate these signaling pathways, potentially affecting various cellular processes. As an orally bioavailable inhibitor, VX-11e offers the advantage of convenient administration.

Reference

[1]. Aronov, Alex M.; Tang, Qing; Martinez-Botella, Gabriel et al. Structure-Guided Design of Potent and Selective Pyrimidylpyrrole Inhibitors of Extracellular Signal-Regulated Kinase (ERK) Using Conformational Control. Journal of Medicinal Chemistry (2009), 52(20), 6362-6368.
Abstract
The Ras/Raf/MEK/ERK signal transduction, an oncogenic pathway implicated in a variety of human cancers, is a key target in anticancer drug design. A novel series of pyrimidylpyrrole ERK inhibitors has been identified. Discovery of a conformational change for lead compound 2, when bound to ERK2 relative to antitarget GSK3, enabled structure-guided selectivity optimization, which led to the discovery of 11e, a potent, selective, and orally bioavailable inhibitor of ERK.