| Identification | Back Directory | [Name]
3(4H)-Quinazolinepropanamide, 6-[5-[[(2-chloro-4-fluorophenyl)sulfonyl]amino]-6-methoxy-3-pyridinyl]-N,α-dimethyl-4-oxo-, (αR)- | [CAS]
2322293-83-2 | [Synonyms]
PI3Kα-IN-4
PI-3Kα-IN-4,PI3Kα IN 4,PI3KαIN4
3(4H)-Quinazolinepropanamide, 6-[5-[[(2-chloro-4-fluorophenyl)sulfonyl]amino]-6-methoxy-3-pyridinyl]-N,α-dimethyl-4-oxo-, (αR)- | [Molecular Formula]
C25H23ClFN5O5S | [MDL Number]
MFCD33023220 | [MOL File]
2322293-83-2.mol | [Molecular Weight]
560 |
| Chemical Properties | Back Directory | [density ]
1.47±0.1 g/cm3(Predicted) | [storage temp. ]
Store at -20°C | [solubility ]
DMSO : 100 mg/mL (178.57 mM; Need ultrasonic) | [form ]
Solid | [pka]
6.31±0.40(Predicted) | [color ]
Off-white to yellow |
| Hazard Information | Back Directory | [Uses]
PI3Kα-IN-4 is a potent, selective and orally active inhibitor of PI3Kα, with an IC50 of 1.8 nM. PI3Kα-IN-4 has antitumor activity[1]. | [in vivo]
PI3Kα-IN-4 (compound 10) (30 mg/kg; p.o. once daily for 21 d) achieves the best efficacy, which could inhibit tumor growth by 73.0% in mice[1].
PI3Kα-IN-4 (15-40 mg/kg; p.o. once daily for 30 d) dose dependently suppresses tumor growth by 62.5% (15 mg/kg), 86.0% (30 mg/kg) and 90.7% (40 mg/kg), respectively in mice[1].
PI3Kα-IN-4 (15-40 mg/kg; p.o. once daily; 1-4 h) inhibits the phosphorylation of Akt in a dose- and time-dependent manner in vivo[1].
PI3Kα-IN-4 shows high Cmax (mouse 22167, rat 2327 nM) and good bioavailability (mouse 59.4%, rat 46.9%) following oral administration (mouse 10, rat 3 mg/kg)[1].
PI3Kα-IN-4 shows t1/2 (mouse 0.99, rat 1.22 h) and low plasma clearance (mouse 4.16, rat 5.28 mL/min/kg) following intravenous injection (mouse 1, rat 1 mg/kg)[1]. | Animal Model: | BT-474 subcutaneous xenograft mice[1] | | Dosage: | 30 mg/kg | | Administration: | P.o. once daily for 21 days | | Result: | Inhibited tumor growth by 73.0% and could be tolerated. |
| [IC 50]
PI3Kα: 1.8 nM (IC50) | [References]
[1] Dong J, et, al. Discovery of 3-Quinazolin-4(3 H)-on-3-yl-2, N-dimethylpropanamides as Orally Active and Selective PI3Kα Inhibitors. ACS Med Chem Lett. 2020 Jun 10; 11(7): 1463-1469. DOI:10.1021/acsmedchemlett.0c00239 |
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