| Identification | Back Directory | [Name]
1H-Pyrrole-2-carboxamide, 4-(2,6-difluoro-3-pyridinyl)-N-tricyclo[3.3.1.13,7]dec-2-yl- | [CAS]
2290534-93-7 | [Synonyms]
MmpL3-IN-1
4-(2,6-Difluoro-3-pyridinyl)-N-tricyclo[3.3.1.13,7]dec-2-yl-1H-pyrrole-2-carboxamide
1H-Pyrrole-2-carboxamide, 4-(2,6-difluoro-3-pyridinyl)-N-tricyclo[3.3.1.13,7]dec-2-yl- | [Molecular Formula]
C20H21F2N3O | [MOL File]
2290534-93-7.mol | [Molecular Weight]
357.4 |
| Hazard Information | Back Directory | [Uses]
MmpL3-IN-1 (compound 32) is a potent Mycobacterial membrane protein large 3 (MmpL3) inhibitor. MmpL3-IN-1 has anti-tuberculosis activity with the MIC<0.016 μg/mL in M. tuberculosis and can be used in studies of drug-resistant tuberculosis[1]. | [in vivo]
MmpL3-IN-1 (compound 32) (oral gavage, 100 mg/kg, 5 days per week, 30 days) has effective anti-tuberculosis activity in SPF BALB/c female mice with H37Rv[1].
| Animal Model: | SPF BALB/c female mice with H37Rv[1] | | Dosage: | 100 mg/kg | | Administration: | Oral gavage; 5 days per week; 30 days | | Result: | Showed a 2.0 log CFU reduction of H37Rv in lung colony forming units. |
| Animal Model: | BALB/c mouse (female) weighing 20-25 g[1] | | Dosage: | | | Administration: | 100 mg/kg p.o. or 10 mg/kg i.v. ; 0-24 hours | | Result: | b>The pharmacokinetic parameters of MmpL3-IN-1 (compound 32)
| Parameter | iv, 10 mg/kg | po, 100 mg/kg | | t1/2(h) | 7.37 | 7.48 | | Cmax (ng/mL) | 5105 | 211 | | Tmax(h) | 0.03 | 0.5 | | AUC0-t(h?ng/mL) | 2475 | 1625 | | MRT0-t(h?ng/mL) | 2.00 | 8.69 | | V (mL/kg) | 42067 | - | | CL (mL/h/kg) | 3958 | - | | F% | - | 6.6 | |
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| [References]
[1] Hongyi Zhao, et al. Design, Synthesis, and Biological Evaluation of Pyrrole-2-carboxamide Derivatives as Mycobacterial Membrane Protein Large 3 Inhibitors for Treating Drug-Resistant Tuberculosis. J Med Chem. 2022 Aug 1. DOI:10.1021/acs.jmedchem.2c00718 |
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