| Identification | Back Directory | [Name]
3-(benzoxazol-2-yl)-7-(diethylamino)-2-benzopyrone | [CAS]
35773-42-3 | [Synonyms]
EMI1 (EGFR MaMTH Inhibitor 1)
3-(benzoxazol-2-yl)-7-(diethylamino)-2-benzopyrone
3-(Benzoxazol-2-yl)-7-diethylamino-2H-1-benzopyran-2-one
3-(1,3-benzoxazol-2-yl)-7-(diethylamino)-2H-chromen-2-one
2H-1-Benzopyran-2-one, 3-(2-benzoxazolyl)-7-(diethylamino)-
3-(Benzoxazole-2-yl)-7-(diethylamino)-2H-1-benzopyran-2-one
7-(Diethylamino)-3-(benzoxazole-2-yl)-2H-1-benzopyran-2-one | [EINECS(EC#)]
252-721-7 | [Molecular Formula]
C20H18N2O3 | [MOL File]
35773-42-3.mol | [Molecular Weight]
334.37 |
| Chemical Properties | Back Directory | [Melting point ]
185-186 °C(Solv: N,N-dimethylformamide (68-12-2)) | [Boiling point ]
551.0±60.0 °C(Predicted) | [density ]
1.284±0.06 g/cm3(Predicted) | [storage temp. ]
2-8°C | [solubility ]
DMSO: 2mg/mL, clear | [form ]
Solid | [pka]
2.94±0.20(Predicted) | [color ]
Light yellow to yellow | [InChI]
1S/C20H18N2O3/c1-3-22(4-2)14-10-9-13-11-15(20(23)25-18(13)12-14)19-21-16-7-5-6-8-17(16)24-19/h5-12H,3-4H2,1-2H3 | [InChIKey]
UJOQSHCJYVRZKJ-UHFFFAOYSA-N | [SMILES]
N(CC)(CC)c1cc2[o][c](c(cc2cc1)c3nc4c([o]3)cccc4)=O | [EPA Substance Registry System]
2H-1-Benzopyran-2-one, 3-(2-benzoxazolyl)-7-(diethylamino)- (35773-42-3) |
| Hazard Information | Back Directory | [Uses]
EMI1 is an EGFR ex19del/T790M/C797S and EGFR L858R/T790M/C797S inhibitor. EMI1 can be used for the research of mutant EGFR-associated, drug-resistant non-small-cell lung cancer (NSCLC)[1]. | [Biological Activity]
EMI1 (ChemBridge 5213777) is a call penetrant and potent inhibitor of EGFR signaling in EGFR L858R/T790M/C797S and ex19del/T790M/C797S triple mutants associated with drug-resistant NSCLC. AdditionallyEMI1 potently depolymerized interphase microtubulesdisrupts spindle formation and induced mitotic block in PC9 EGFR ex19del/T790M/C797S cells. EMI1 exhibits potent anti-proliferative activity against various cancer cell lines. | [IC 50]
EGFRdel19 T790M C797S; EGFRL858R/T790M/C797S | [References]
[1] Punit Saraon, et al. A drug discovery platform to identify compounds that inhibit EGFR triple mutants. Nat Chem Biol. 2020 May;16(5):577-586. DOI:10.1038/s41589-020-0484-2 |
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| Company Name: |
Merck KGaA
|
| Tel: |
21-20338288 |
| Website: |
www.sigmaaldrich.cn |
| Company Name: |
Biorbyt Ltd.
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| Tel: |
+44 (0)1223 859 353 |
| Website: |
http://www.biorbyt.com |
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