| Identification | Back Directory | [Name]
2,6-Dimethyl-4-[[1-[(4-methylphenyl)sulfonyl]-1H-indol-3-yl]methyl]phenol | [CAS]
2447607-85-2 | [Synonyms]
ALK-IN-26
2,6-Dimethyl-4-[[1-[(4-methylphenyl)sulfonyl]-1H-indol-3-yl]methyl]phenol | [Molecular Formula]
C24H23NO3S | [MOL File]
2447607-85-2.mol | [Molecular Weight]
405.51 |
| Chemical Properties | Back Directory | [Boiling point ]
611.4±57.0 °C(Predicted) | [density ]
1.22±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted) | [form ]
Solid | [pka]
10.69±0.25(Predicted) | [color ]
White to off-white |
| Hazard Information | Back Directory | [Uses]
ALK-IN-26 is an ALK inhibitor with IC50 value of 7.0 μM for ALK tyrosine kinase. ALK-IN-26 has good pharmacokinetic properties and blood-brain barrier (BBB) permeability. ALK-IN-26 can induce apoptosis, autophagy and necrosis. ALK-IN-26 can be used in glioblastoma studies[1]. | [in vivo]
ALK-IN-26 (5 mg/kg, i.v., single dose) has pharmacokinetic properties in male C57BL6/J mice[1].
ALK-IN-26 is (20 mg/kg, i.p., single dose) able to penetrate the blood-brain barrier in male C57BL6/J mice[1].
Pharmacokinetic parameters of C57BL6/J in male rats (n = 3) [1]
| Pharmacokinetic property | T1/2(h) | Tmax(h) | Cmax (ng/mL) | AUC(0-8) (h*ng/mL) | AUC(0-∞) (h*ng/mL) | MRT(0-8) (h) | MRT(0-∞) (h) | V∞ (L/kg) | V2 (L/kg) | bioavailablity F (%) | | i.v.(5mg/kg) | 1.13 | 0.08 | 1978.21 | 884.88 | 924.56 | 0.63 | 0.84 | 4.59 | 8.89 | 38.40 | | i.p.(5mg/kg) | 3.55 | 0.58 | 117.57 | 339.79 | 420.50 | 2.25 | 4.60 | / | / | / |
| Animal Model: | Male C57BL/6J mice[1] | | Dosage: | 5 mg/kg | | Administration: | Intravenous injection (i.v.), Single dose | | Result: | Could be rapidly absorbed (Tmax = 0.58 h) with an acceptable half-life (T1/2 = 3.55 h) and bioavailability (F = 38.4%). |
| Animal Model: | Male C57BL/6J mice[1] | | Dosage: | 20mg/kg | | Administration: | Intraperitoneal injection (i.p.), Single dose | | Result: | Could enter the body at concentrations up to 2.7μmol/kg (after 2 h administration at 20 mg/kg) and penetrate the blood-brain barrier. |
| [References]
[1] Feng L, et al. Synthesis and Bioevaluation of 3-(Arylmethylene) indole Derivatives: Discovery of a Novel ALK Modulator with Antiglioblastoma Activities[J]. Journal of Medicinal Chemistry, 2023. DOI:10.1021/acs.jmedchem.3c01090 |
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