ChemicalBook CAS DataBase List 2417987-45-0

2417987-45-0

Name	2-Propen-1-one, 1-[(3S)-4-[(7R)-7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-8-fluoro-2-[[(2S)-1-methyl-2-pyrrolidinyl]methoxy]-4-quinazolinyl]-3-methyl-1-piperazinyl]-
CAS	2417987-45-0
Molecular Formula	C29H32ClF4N7O2
Molecular Weight	622.06
MOL File	2417987-45-0.mol

Chemical Properties

Boiling point	743.4±70.0 °C(Predicted)
density	1.344±0.06 g/cm3(Predicted)
storage temp.	Store at -20°C
solubility	DMSO: Soluble: =10 mg/ml Ethanol: Slightly soluble: 0.1-1 mg/ml
form	Solid
pka	9.13±0.40(Predicted)
color	White to light yellow

Hazard Information

Spectrum Detail

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Animal Model:	Female C.B-17 SCID (Inbred) mice (20-21 weeks old; 24.1 g) with human NSCLC NCI-H2030.X1.1 cells^[1]
Dosage:	10, 25, or 100 mg/kg
Administration:	Oral gavage (PO) every day (QD) for 7 days (vehicle: 0.5% methylcellulose)
Result:	Decreased the ratio of free KRAS G12C to internal standard. Dose-dependent target engagement was observed for all time points (2, 8, and 24 h post-last dose), with over 90% KRAS G12C engagement observed for the highest dose 100 mg/kg assessed.

2417987-45-0

Chemical Properties

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in vivo

IC 50

storage

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Spectrum Detail

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