2290534-93-7

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
Molecular Formula	C20H21F2N3O
Molecular Weight	357.4
MOL File	2290534-93-7.mol

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-

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Chemical Properties

Boiling point	578.8±50.0 °C(Predicted)
density	1.36±0.1 g/cm3(Predicted)
pka	13.43±0.50(Predicted)

Hazard Information

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
t_1/2(h)	7.37	7.48
C_max (ng/mL)	5105	211
T_max(h)	0.03	0.5
AUC_0-t(h?ng/mL)	2475	1625
MRT_0-t(h?ng/mL)	2.00	8.69
V (mL/kg)	42067	-
CL (mL/h/kg)	3958	-
F%	-	6.6

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

Supplier

Shanghai Beckham Medical Technology Co., Ltd

Telephone021-13816613772 13816613772

Websitehttps://www.chemicalbook.com/ShowSupplierProductsList16976/0.htm

TargetMol Chemicals Inc.

Telephone 15002134094

Websitehttps://www.targetmol.cn/

Shanghai Kaisen Biotechnology Co., Ltd

Telephone 17558870519

Websitehttps://coa.ikekule.com/

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