SML2858
Compound 8918
≥98% (HPLC)
Synonym(s):
1-[(2,6-Diethylphenyl)-3-N-ethylcarbamimodoyl]urea, 8918
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About This Item
Empirical Formula (Hill Notation):
C14H22N4O
CAS Number:
Molecular Weight:
262.35
UNSPSC Code:
51111800
NACRES:
NA.77
Assay:
≥98% (HPLC)
Form:
powder
Quality Segment
assay
≥98% (HPLC)
form
powder
color
white to beige
solubility
DMSO: 2 mg/mL, clear
storage temp.
−20°C
SMILES string
N(CC)C(=N)NC(=O)Nc1c(cccc1CC)CC
InChI key
VHGRQUGTHVVVTE-UHFFFAOYSA-N
Biochem/physiol Actions
Compound 8918 is an orally active, non-cytotoxic, phosphopantethein (Ppt)-binding pocket-targeting, non-competitive M. tuberculosis (Mtb) Ppt transferase (PptT) inhibitor (IC50 = 2.5 μM, Emax 80-90%) that exhibits mycobactericidal activity (MIC90 = 0.56-3 μM/29 clinical Mtb isolates; MBC99 = 6.25 μM/Mtb, 3.13 μM/M. smegmatis) with no bactericidal potency against S. aureus, E. coli, P. aeruginosa, Streptomyces or C. albicans. Oral administration is efficacious against H37Rv replication in mouse lung in vivo (by 100%; 100 mg/kg/d, 4 d/wk for 2 wks). Mutations in MtbH37Rv rv2794c (PptT) or rv279c (Ppt hydrolase, PptH) gene confers 8918 resistance.
Orally active, phosphopantethein (Ppt) pocket-targeting, non-cytotoxic, M. tuberculosis (Mtb) Ppt transferase (PptT) inhibitor with in vitro and in vivo mycobactericidal activity.
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
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