| Identification | Back Directory | [Name]
methyl (1S,3R)-2-(2-chloroacetyl)-1-(4-methylsulfonylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate | [CAS]
2920221-53-8 | [Synonyms]
GPX4-IN-4
methyl (1S,3R)-2-(2-chloroacetyl)-1-(4-methylsulfonylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate | [Molecular Formula]
C22H21ClN2O5S | [MOL File]
2920221-53-8.mol | [Molecular Weight]
460.93 |
| Chemical Properties | Back Directory | [Boiling point ]
702.983±60.00 °C(Press: 760.00 Torr)(predicted) | [density ]
1.414±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted) | [solubility ]
DMF: 30 mg/ml
DMSO: 30 mg/ml
Ethanol: 20 mg/ml | [form ]
Solid | [pka]
15.986±0.60(predicted) | [color ]
White to off-white |
| Hazard Information | Back Directory | [Uses]
GPX4-IN-4 (Compound 24) is a potent GPX4 inhibitor. GPX4-IN-4 can be used for the research of cancer[1]. | [in vivo]
GPX4-IN-4 (Compound 24; 100 and 200 mg/kg; i.p.; once) engages kidney GPX4 and induces PD markers in mice[1].
GPX4-IN-4 (50 mg/kg; i.p.; daily for 20 days) has no effect on WSU-DLCL2 tumor growth in mice, although partial target engagement is observed in tumor homogenate[1]. | Animal Model: | SCID/Beige mice[1] | | Dosage: | 100 and 200 mg/kg | | Administration: | IP, once | | Result: | The GPX4 band was shifted. Engaged kidney GPX4 and induced PD markers. |
| Animal Model: | SCID/Beige mice[1] | | Dosage: | 30 and 100 mg/kg | | Administration: | IP (Pharmacokinetic Analysis) | | Result: | PK Properties of GPX4-IN-4 (Compound 24)[1]
| Dose | t1/2 (h) | Cmax (μg/mL) | AUC (μg*h/mL) | | 30 (IP) | 0.5 | 0.92 (±0.24) | 1.89 (±0.17) | | 100 (IP) | 1.7 | 5.31 (±0.53) | 16.20 (±1.70) |
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| [References]
[1] Randolph JT, et al. Discovery of a Potent Chloroacetamide GPX4 Inhibitor with Bioavailability to Enable Target Engagement in Mice, a Potential Tool Compound for Inducing Ferroptosis In Vivo. J Med Chem. 2023 Mar 23;66(6):3852-3865. DOI:10.1021/acs.jmedchem.2c01415 |
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