EGF816 - CAS 1508250-71-2
EGF816 is a novel covalent inhibitor of mutant-selective EGFR; overcomes T790M-mediated resistance in NSCLC.
Catalog Number: I001869
CAS Number: 1508250-71-2
PubChem Substance ID:355038228
Molecular Formula: C26H31ClN6O2
Molecular Weight:495.0
Purity: ≥95%
* For research use only. Not for human or veterinary use.
Synonym
Synonyms | (R,E)-N-(7-chloro-1-(1-(4-(dimethylamino)but-2-enoyl)azepan-3-yl)-1H-benzo[d]imidazol-2-yl)-2-methylisonicotinamide |
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Property
Molecular Formula: | C26H31ClN6O2 |
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Molecular Weight | 495.0 |
Target: | EGFR |
Solubility | DMSO: ≥ 242 mg/mL |
Purity | ≥95% |
Storage | Store at -20°C |
Computed Descriptor
InChI | InChI=1S/C26H31ClN6O2/c1-18-16-19(12-13-28-18)25(35)30-26-29-22-10-6-9-21(27)24(22)33(26)20-8-4-5-15-32(17-20)23(34)11-7-14-31(2)3/h6-7,9-13,16,20H,4-5,8,14-15,17H2,1-3H3,(H,29,30,35)/b11-7+/t20-/m1/s1 |
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InChIKey | IOMMMLWIABWRKL-WUTDNEBXSA-N |
SMILES | O=C(/C=C/CN(C)C)N1CCCC[C@@H](N2C(NC(C3=CC=NC(C)=C3)=O)=NC4=C2C(Cl)=CC=C4)C1 |