ChemicalBook--->CAS DataBase List--->39868-96-7

39868-96-7

39868-96-7 Structure

39868-96-7 Structure
IdentificationBack Directory
[Name]

clorobiocin
[CAS]

39868-96-7
[Synonyms]

18631RP
RP-18631
clorobiocin
Chlorobiocin
Antibiotic RP-18631
N-[7-[[3-O-(5-Methyl-1H-pyrrol-2-ylcarbonyl)-4-O,5-C-dimethyl-6-deoxy-α-L-lyxo-hexopyranosyl]oxy]-8-chloro-4-hydroxy-2-oxo-2H-1-benzopyran-3-yl]-3-(3-methyl-2-butenyl)-4-hydroxybenzamide
Benzamide, N-[8-chloro-7-[[6-deoxy-5-C-methyl-4-O-methyl-3-O-[(5-methyl-1H-pyrrol-2-yl)carbonyl]-α-L-lyxo-hexopyranosyl]oxy]-4-hydroxy-2-oxo-2H-1-benzopyran-3-yl]-4-hydroxy-3-(3-methyl-2-buten-1-yl)-
[Molecular Formula]

C35H37ClN2O11
[MDL Number]

MFCD01939925
[MOL File]

39868-96-7.mol
[Molecular Weight]

697.133
Chemical PropertiesBack Directory
[Boiling point ]

925.7±65.0 °C(Predicted)
[density ]

1.46±0.1 g/cm3(Predicted)
[pka]

4.50±1.00(Predicted)
Hazard InformationBack Directory
[Uses]

Clorobiocin is a MlaC protein inhibitor that could bind to the MlaC protein. Clorobiocin has antibacterial effects[1].
[References]

[1] Yu-Ming M Huang, et al. Docking simulation and antibiotic discovery targeting the MlaC protein in Gram-negative bacteria. Chem Biol Drug Des. 2019 Apr;93(4):647-652. DOI:10.1111/cbdd.13462
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