BLU-945 Chemical Properties

Boiling point:

784.6±70.0 °C(Predicted)

Density 

1.32±0.1 g/cm3(Predicted)

storage temp. 

Store at -20°C

pka

7.87±0.10(Predicted)

form 

Solid

color 

Light yellow to yellow

InChI

InChI=1/C28H37FN6O3S/c1-17(2)20-6-7-24(35-14-19(18(35)3)16-39(5,36)37)22-13-31-27(12-21(20)22)32-26-8-10-30-28(33-26)34-11-9-25(38-4)23(29)15-34/h6-8,10,12-13,17-19,23,25H,9,11,14-16H2,1-5H3,(H,30,31,32,33)/t18-,19-,23+,25-/s3

InChIKey

LIMFPAAAIVQRRD-MCEZSBKONA-N

SMILES

C(C1=CC=C(N2C[C@H](CS(=O)(=O)C)[C@H]2C)C2C=NC(NC3C=CN=C(N4CC[C@@H](OC)[C@@H](F)C4)N=3)=CC1=2)(C)C |&1:7,13,28,31,r|

BLU-945 Usage And Synthesis

Description

BLU-945 is a potent, highly selective, reversible, and orally active epidermal growth factor receptor (EGFR) tyrosine kinase inhibitor (TKI). It can effectively inhibit EGFR with L858R and/or exon 19 deletion mutation, T790M mutation, and C797S mutation. BLU-945 can be used for research on lung cancer, including non-small cell lung cancer (NSCLC)[1].

Chemical Properties

IUPAC/Chemical Name: N-(2-((3S,4R)-3-fluoro-4-methoxypiperidin-1-yl)pyrimidin-4-yl)-5-isopropyl-8-((2R,3S)-2-methyl-3-((methylsulfonyl)methyl)azetidin-1-yl)isoquinolin-3-amine.

Side effects

According to clinical studies of BLU-945, common side effects of BLU-945 monotherapy include: rash, diarrhoea, nausea, vomiting, headache, dry skin, onychomycosis, and elevated alanine aminotransferase and aspartate aminotransferase. Common side effects of the combination of BLU-945 and ositinib include: headache, nausea, fatigue, decreased appetite, vomiting, diarrhoea, dry skin, acne-like dermatitis and onychomycosis.

in vitro

BLU-945 has inhibitory activity against the EGFRm/T790M double and EGFRm/T790M/C797Striple mutants with IC50 value range from 1.2-4.4 nM.
BLU-945 (0- 10 mM, 4 h) inhibit EGFR phosphorylation in the EGFR L858R/T790M/C797S, and EGFR ex19del/T790M/C797S mutant cell lines.

References

[1] Y. Elamin. “BLU-945 monotherapy and in combination with osimertinib (OSI) in previously treated patients with advanced EGFR-mutant (EGFRm) NSCLC in the phase 1/2 SYMPHONY study.” Journal of Clinical Oncology (2023).

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