| Identification | Back Directory | [Name]
2-Benzoxazolamine, 5-(4,6-di-4-morpholinyl-1,3,5-triazin-2-yl)- | [CAS]
2715287-67-3 | [Synonyms]
PI3Kα-IN-9
2-Benzoxazolamine, 5-(4,6-di-4-morpholinyl-1,3,5-triazin-2-yl)- | [Molecular Formula]
C18H21N7O3 | [MOL File]
2715287-67-3.mol | [Molecular Weight]
383.4 |
| Chemical Properties | Back Directory | [Boiling point ]
682.7±65.0 °C(Predicted) | [density ]
1.402±0.06 g/cm3(Predicted) | [form ]
Solid | [pka]
5.51±0.10(Predicted) | [color ]
White to off-white |
| Hazard Information | Back Directory | [Uses]
PI3Kα-IN-9 (compound 27) is a selective, long-acting and oral active PI3Kα inhibitor with IC50 values of 4.4, 128, 146 and 153 nM for PI3Kα, PI3Kγ, PI3Kδ and PI3Kβ, respectively. PI3Kα-IN-9 has antiproliferative activity and induces apoptosis. PI3Kα-IN-9 can be used for cancer research[1]. | [in vivo]
PI3Kα-IN-9 (compound 27) (1-10 mg/kg; p.o. and i.v.; for 24 hours; male Sprague-Dawley rat) has favorable stability (T1/2>10 h) and high bioavailability (130%)[1].
PI3Kα-IN-9 (compound 27) (30 mg/kg; p.o.; daily, for 3 weeks; male BALB/c nude mice) has antitumor activity and low cytotoxicity[1]. | Animal Model: | Male Sprague-Dawley rat[1] | | Dosage: | 1 and 10 mg/kg | | Administration: | Oral administration and intravenous injection; for 24 hours (Pharmacokinetic Analysis) | | Result: | 1.19|
| parameters | IV | PO | | dose (mg/kg) | 1 | 10 | | T1/2 (h) | 6.29 | ﹥10 | | Tmax (h) | 0.003 | 9.33 | | Cmax (ng/mL) | 454.7 | 2256.7 | | AUC0-t (ng·h/mL) | 2237 | 36697 | | AUC0-∞ (ng·h/mL) | 2922.4 | 38114.3 | | CL (mL/h/kg) | 343 | | |
| F % | | 130.4 |
|
| Animal Model: | Male BALB/c nude mice[1] | | Dosage: | 30 mg/kg | | Administration: | Oral administration; daily, for 3 weeks | | Result: | Inhibited tumor growth with a tumor growth inhibition (TGI) rate of 41.5%. |
| [IC 50]
PI3Kα: 4.4 nM (IC50); PI3Kγ: 128 nM (IC50); PI3Kδ: 146 nM (IC50); PI3Kβ: 153 nM (IC50) | [References]
[1] Hou Y, et, al. Discovery of Novel Phosphoinositide-3-Kinase α Inhibitors with High Selectivity, Excellent Bioavailability, and Long-Acting Efficacy for Gastric Cancer. J Med Chem. 2022 Jul 14. DOI:10.1021/acs.jmedchem.2c00549 |
|
|