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1234563-16-6

1234563-16-6 Structure

1234563-16-6 Structure
IdentificationBack Directory
[Name]

(S)-3-(aMinoMethyl)-7-(3-hydroxypropoxy)benzo[c][1,2]oxaborol-1(3H)-ol
[CAS]

1234563-16-6
[Synonyms]

AN3365
CS-2419
AN3365HCL
AN 3365;AN-3365
AN3365 HCl salt
Epetraborole HCl
AN3365(GSK2251052)
AN3365 (Epetraborole)
AN3365 (hydrochloride)
GSK2251052 hydrochloride
Epetraborole (hydrochloride)
Epetraborole(GSK2251052) hydrochloride
AN 3365;AN-3365;GSK2251052;GSK 2251052;GSK-2251052
(S)-3-(aMinoMethyl)-7-(3-hydroxypropoxy)benzo[c][1,2]oxaborol-1(3H)-ol
(S)-3-(aminomethyl)-7-(3-hydroxypropoxy)benzo[c][1,2]oxaborol-1(3H)-ol hydrochloride
1-Propanol,3-[[(3S)-3-(aminomethyl)-1,3-dihydro-1-hydroxy-2,1-benzoxaborol-7-yl]oxy]-,hydrochloride(1:1)
3-[[(3S)-3-(Aminomethyl)-1,3-dihydro-1-hydroxy-2,1-benzoxaborol-7-yl]oxy]-1-propanol hydrochloride (1:1)
[Molecular Formula]

C11H16BNO4
[MDL Number]

MFCD30343855
[MOL File]

1234563-16-6.mol
[Molecular Weight]

237.06
Chemical PropertiesBack Directory
[storage temp. ]

Store at -20°C
[solubility ]

DMSO:200.0(Max Conc. mg/mL);731.21(Max Conc. mM)
Water:28.0(Max Conc. mg/mL);102.37(Max Conc. mM)
[form ]

A crystalline solid
[color ]

White to off-white
Safety DataBack Directory
[Symbol(GHS) ]

Health Hazard (GHS08)
GHS08
[Signal word ]

Warning
[Hazard statements ]

H361
[Precautionary statements ]

P201-P202-P281-P308+P313-P405-P501
Hazard InformationBack Directory
[Uses]

Epetraborole (GSK2251052) hydrochloride is a novel leucyl-tRNA synthetase (LeuRS) inhibitor (IC50=0.31 μM), thereby inhibiting protein synthesis. Epetraborole hydrochloride can be used in multidrug-resistant gram-negative pathogens infection research[1][2][3].
[storage]

Store at -20°C
[References]

[1] Goldstein EJ, et al. Comparative in vitro activities of GSK2251052, a novel boron-containing leucyl-tRNA synthetase inhibitor, against 916 anaerobic organisms. Antimicrob Agents Chemother. 2013 May;57(5):2401-4. DOI:10.1128/AAC.02580-12
[2] O'Dwyer K, et al. Bacterial resistance to leucyl-tRNA synthetase inhibitor GSK2251052 develops during treatment of complicated urinary tract infections. Antimicrob Agents Chemother. 2015 Jan;59(1):289-98. DOI:10.1128/AAC.03774-14
[3] Sutcliffe JA. Antibiotics in development targeting protein synthesis. Ann N Y Acad Sci. 2011 Dec;1241:122-52. DOI:10.1111/j.1749-6632.2011.06323.x
Spectrum DetailBack Directory
[Spectrum Detail]

(S)-3-(aMinoMethyl)-7-(3-hydroxypropoxy)benzo[c][1,2]oxaborol-1(3H)-ol(1234563-16-6)1HNMR
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