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1679333-73-3

1679333-73-3 Structure

1679333-73-3 Structure
IdentificationBack 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 PropertiesBack 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 InformationBack 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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