Identification | Back Directory | [Name]
1H-Pyrido[3,4-b]indole-3-carboxylic acid, 1-(2,4-dichlorophenyl)-2,3,4,9-tetrahydro-, (1R,3S)- | [CAS]
1679333-73-3 | [Synonyms]
MMV008138 1H-Pyrido[3,4-b]indole-3-carboxylic acid, 1-(2,4-dichlorophenyl)-2,3,4,9-tetrahydro-, (1R,3S)- | [Molecular Formula]
C18H14Cl2N2O2 | [MDL Number]
MFCD32197198 | [MOL File]
1679333-73-3.mol | [Molecular Weight]
361.22 |
Chemical Properties | Back Directory | [Boiling point ]
577.9±50.0 °C(Predicted) | [density ]
1.473±0.06 g/cm3(Predicted) | [storage temp. ]
Store at -20°C | [solubility ]
DMSO: 125 mg/mL (346.05 mM) | [form ]
Solid | [pka]
2.09±0.40(Predicted) | [color ]
Light yellow to yellow |
Hazard Information | Back Directory | [Uses]
MMV008138 is a species-selective IspD (enzyme 2-C-methyl-d-erythritol 4-phosphate cytidylyltransferase)-targeting antimalarial agent, with an IC50 of 44 nM for PfIspD (P. falciparum IspD). MMV008138 inhibits the growth of P. falciparum Dd2 strain with an IC50 of 250 nM[1][2]. | [IC 50]
Plasmodium | [References]
[1] Ghavami M, et al. Biological Studies and Target Engagement of the 2- C-Methyl-d-Erythritol 4-Phosphate Cytidylyltransferase (IspD)-Targeting Antimalarial Agent (1 R,3 S)-MMV008138 and Analogs. ACS Infect Dis. 2018 Apr 13;4(4):549-559. DOI:10.1021/acsinfecdis.7b00159 [2] Yao ZK, et al. Determination of the active stereoisomer of the MEP pathway-targeting antimalarial agent MMV008138, and initial structure-activity studies. Bioorg Med Chem Lett. 2015 Apr 1;25(7):1515-9. DOI:10.1016/j.bmcl.2015.02.020 |
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