EAI001

For research use only. Not for therapeutic Use.

  • CAT Number: I026661
  • CAS Number: 892772-75-7
  • Molecular Formula: C19H15N3O2S
  • Molecular Weight: 349.408
  • Purity: 98%
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EAI001 (CAT: I026661) is a notable compound as it was the first non-ATP competitive inhibitor developed specifically to target the epidermal growth factor receptor (EGFR) mutations L858R, T790M, and C797S. These mutations are commonly found in EGFR-mutant non-small cell lung cancer (NSCLC) and are associated with resistance to traditional EGFR inhibitors. EAI001 was designed to bind to EGFR in a manner that is distinct from ATP binding, allowing it to overcome the resistance caused by these specific mutations. By selectively targeting these mutations, EAI001 demonstrated promising preclinical activity and provided a basis for the development of subsequent generations of non-ATP competitive EGFR inhibitors for the treatment of EGFR-mutant NSCLC.


Catalog Number I026661
CAS Number 892772-75-7
Synonyms

EAI001; EAI-001; EAI 001;

Molecular Formula C19H15N3O2S
Purity 98%
Solubility Soluble in DMSO
Appearance Solid powder
Storage Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
IUPAC Name 2-(1-oxoisoindolin-2-yl)-2-phenyl-N-(thiazol-2-yl)acetamide
InChI InChI=1S/C19H15N3O2S/c23-17(21-19-20-10-11-25-19)16(13-6-2-1-3-7-13)22-12-14-8-4-5-9-15(14)18(22)24/h1-11,16H,12H2,(H,20,21,23)
InChIKey PWRVRDCBFYLYFU-UHFFFAOYSA-N
SMILES O=C(NC1=NC=CS1)C(N(CC2=C3C=CC=C2)C3=O)C4=CC=CC=C4
Reference

1: Wan S, Yan R, Jiang Y, Li Z, Wu X. Insight into Binding Mechanisms of EGFR
Allosteric Inhibitors using Molecular Dynamics Simulations and Free Energy
Calculations. J Biomol Struct Dyn. 2018 Nov 30:1-20. doi:
10.1080/07391102.2018.1552197. [Epub ahead of print] PubMed PMID: 30499387.
2: Zhao P, Yao MY, Zhu SJ, Chen JY, Yun CH. Crystal structure of EGFR
T790M/C797S/V948R in complex with EAI045. Biochem Biophys Res Commun. 2018 Jul
20;502(3):332-337. doi: 10.1016/j.bbrc.2018.05.154. PubMed PMID: 29802850.

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