| Identification | Back Directory | [Name]
PptT inhibitor 8918 | [CAS]
65009-19-0 | [Synonyms]
PptT inhibitor 8918
Urea, N-(2,6-diethylphenyl)-N'-[(ethylamino)iminomethyl]- | [Molecular Formula]
C14H22N4O | [MOL File]
65009-19-0.mol | [Molecular Weight]
262.35 |
| Chemical Properties | Back Directory | [density ]
1.11±0.1 g/cm3(Predicted) | [storage temp. ]
-20°C | [solubility ]
DMSO: 2mg/mL, clear | [form ]
powder | [pka]
17.94±0.70(Predicted) | [color ]
white to beige | [InChIKey]
VHGRQUGTHVVVTE-UHFFFAOYSA-N | [SMILES]
N(CC)C(=N)NC(=O)Nc1c(cccc1CC)CC |
| Hazard Information | Back Directory | [Biological Activity]
Compound 8918 is an orally activenon-cytotoxicphosphopantethein (Ppt)-binding pocket-targetingnon-competitive M. tuberculosis (Mtb) Ppt transferase (PptT) inhibitor (IC50 = 2.5 μMEmax 80-90%) th at exhibits mycobactericidal activity (MIC90 = 0.56-3 μM/29 clinical Mtb isolates; MBC99 = 6.25 μM/Mtb3.13 μM/M. smegmatis) with no bactericidal potency against S. aureusE. coliP. aeruginosaStreptomyces or C. albicans. Oral administration is efficacious against H37Rv replication in mouse lung in vivo (by 100%; 100 mg/kg/d4 d/wk for 2 wks). Mutations in MtbH37Rv rv2794c (PptT) or rv279c (Ppt hydrolasePptH) gene confers 8918 resistance. |
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| Company Name: |
Merck KGaA
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| Tel: |
21-20338288 |
| Website: |
www.sigmaaldrich.cn |
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