| Identification | Back Directory | [Name]
Benzenemethanamine, 4-[4-chloro-3-(1H-indol-6-yl)-1H-pyrrolo[2,3-b]pyridin-1-yl]-N,N-dimethyl- | [CAS]
2471981-21-0 | [Synonyms]
MPO-IN-1
Benzenemethanamine, 4-[4-chloro-3-(1H-indol-6-yl)-1H-pyrrolo[2,3-b]pyridin-1-yl]-N,N-dimethyl- | [Molecular Formula]
C24H21ClN4 | [MOL File]
2471981-21-0.mol | [Molecular Weight]
400.9 |
| Chemical Properties | Back Directory | [Boiling point ]
594.2±50.0 °C(Predicted) | [density ]
1.27±0.1 g/cm3(Predicted) | [storage temp. ]
Store at -20°C | [solubility ]
DMSO : 200 mg/mL (498.88 mM; ultrasonic and warming and heat to 60°C) | [form ]
Solid | [pka]
16.36±0.30(Predicted) | [color ]
Off-white to gray |
| Hazard Information | Back Directory | [Uses]
MPO-IN-1 is a potent, orally active, and irreversible indole-containing inhibitor of myeloperoxidase (MPO). MPO-IN-1 has IC50s of 2.6 μM and 5.3 μM for MPO and thyroid peroxidase (TPO), respectively. MPO-IN-1 inhibits MPO activity in an acute mouse model of inflammation[1]. | [in vivo]
MPO-IN-1 (compound 2) (5 and 90 mg/kg; p.o.; four hours post-Zymosan A administration) significantly reduces MPO activity in a mouse peritonitis model of acute inflammation[1].
Mouse pharmacokinetic parameter of MPO-IN-1[1].
| Dose | Vss
(L/kg) | T1/2
(h) | AUCinf
(nM?h) p.o. | Cmax
(nM) p.o. | PPB (%) | F (%) | | 1/10 mg/kg i.v./p.o. | 9.8 | 2.6 | 2486 | 502 | 99.6 | 61 |
| Animal Model: | Male C57BL/6J mice (mouse peritonitis model of acute inflammation)[1] | | Dosage: | 5 and 90 mg/kg | | Administration: | p.o. (four hours post-Zymosan A administration) | | Result: | Resulted in a ~50% reduction in the MPO activity at 90 mg/kg.
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| [storage]
Store at -20°C | [References]
[1] Patnaik A, et al. Discovery of a novel indole pharmacophore for the irreversible inhibition of myeloperoxidase (MPO). Bioorg Med Chem. 2020;28(12):115548. DOI:10.1016/j.bmc.2020.115548 |
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