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ChemicalBook--->CAS DataBase List--->2471981-21-0

2471981-21-0

2471981-21-0 Structure

2471981-21-0 Structure
IdentificationBack 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 PropertiesBack 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 InformationBack 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].

DoseVss
(L/kg)
T1/2
(h)
AUCinf
(nM?h) p.o.
Cmax
(nM) p.o.
PPB (%)F (%)
1/10 mg/kg i.v./p.o.9.82.6248650299.661
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.
[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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