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Epetraborole hydrochloride - 99%, high purity , CAS No.1234563-16-6

COA

Grade & Purity:

≥99%

Cas Number: 1234563-16-6
Molecular Weight: 273.52
EC Number: 689-184-7
PubChem CID: 52918389

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Item Number

E649466

Grouped product items
SKU	Size	Availability	Price
E649466-1mg	1mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$70.90
E649466-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$140.90
E649466-10mg	10mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$230.90
E649466-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$510.90
E649466-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$820.90
E649466-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,320.90

View related series

Aminoacyl-tRNA Synthetase (14) Bacterial (3013) Metabolic Enzyme/Protease (4860) Nucleic Acid Metabolism (395)

Basic Description

Synonyms	BCP18023 \| MFCD30343855 \| Epetraborole (hydrochloride) \| AN3365 (hydrochloride) \| UNII-MM0NZY12FA \| 1234563-16-6 \| EN300-22046930 \| EX-A1006 \| AN3365(Epetraborole) \| 1-Propanol, 3-[[(3S)-3-(aminomethyl)-1,3-dihydro-1-hydroxy-2,1-benzoxaborol-7-yl]oxy]-, h
Specifications & Purity	≥99%
Biochemical and Physiological Mechanisms	Epetraborole (GSK2251052) hydrochloride is a novel leucyl-tRNA synthetase ( LeuRS ) inhibitor ( IC 50 =0.31 μM), thereby inhibiting protein synthesis. Epetraborole hydrochloride can be used in multidrug-resistant gram-negative pathogens infection research
Storage Temp	Store at 2-8°C,Desiccated
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	Epetraborole (GSK2251052) hydrochloride is a novel leucyl-tRNA synthetase ( LeuRS ) inhibitor ( IC 50 =0.31 μM), thereby inhibiting protein synthesis. Epetraborole hydrochloride can be used in multidrug-resistant gram-negative pathogens infection research In Vitro Epetraborole (0-32 μg/mL) shows anti-bacterial activity against key gram-negative aerobic and anaerobic pathogens and gram-positive anaerobes. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Cell Viability AssayCell Line: Anaerobes isolates Concentration: 0-32 μg/mL Incubation Time: Result: Showed MIC 50 /MIC 90 for all anaerobes isolates tested of 2 and 4 μg/mL, respectively. Form:Solid IC50& Target:IC 50 : 0.31 μM (LeuRS)

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Phenol ethers

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Phenol ethers
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Phenol ethers
Alternative Parents	Aralkylamines Alkyl aryl ethers Oxaborole derivatives Boronic acid esters Oxacyclic compounds Organic metalloid salts Primary alcohols Organopnictogen compounds Organometalloid compounds Monoalkylamines Hydrochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Phenol ether - Alkyl aryl ether - Aralkylamine - Boronic acid ester - 1,2-oxaborole derivative - Boronic acid derivative - Ether - Oxacycle - Organoheterocyclic compound - Organic metalloid salt - Primary alcohol - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic metalloid moeity - Primary aliphatic amine - Alcohol - Organopnictogen compound - Organic oxygen compound - Primary amine - Amine - Hydrochloride - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

HEK293 (82097 Activities)

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Liver cytosol (144 Activities)

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Associated Targets(non-human)

Pseudomonas aeruginosa (123386 Activities)

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Klebsiella pneumoniae (43867 Activities)

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Staphylococcus aureus (210822 Activities)

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Acinetobacter baumannii (41033 Activities)

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Escherichia coli (133304 Activities)

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Cryptococcus neoformans (21258 Activities)

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Candida albicans (78123 Activities)

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Cynomolgus monkey (4946 Activities)

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Plasma (328 Activities)

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Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	3-[[(3S)-3-(aminomethyl)-1-hydroxy-3H-2,1-benzoxaborol-7-yl]oxy]propan-1-ol;hydrochloride
INCHI	InChI=1S/C11H16BNO4.ClH/c13-7-10-8-3-1-4-9(16-6-2-5-14)11(8)12(15)17-10;/h1,3-4,10,14-15H,2,5-7,13H2;1H/t10-;/m1./s1
InChIKey	DADYQGIQOBJGIW-HNCPQSOCSA-N
Smiles	B1(C2=C(C=CC=C2OCCCO)C(O1)CN)O.Cl
Isomeric SMILES	B1(C2=C(C=CC=C2OCCCO)[C@H](O1)CN)O.Cl
Alternate CAS	1234563-16-6
PubChem CID	52918389
Molecular Weight	273.52

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Solubility	DMSO : 200 mg/mL (731.21 mM; Need ultrasonic) H2O : ≥ 28 mg/mL (102.37 mM)
Molecular Weight	273.520 g/mol
XLogP3
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	273.094 Da
Monoisotopic Mass	273.094 Da
Topological Polar Surface Area	84.900 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	244.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	2

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Epetraborole hydrochloride - 99%, high purity , CAS No.1234563-16-6

Basic Description

Taxonomic Classification

Associated Targets(Human)

Associated Targets(non-human)

Mechanisms of Action

Names and Identifiers

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

Chemical and Physical Properties

Solution Calculators

Molarity Calculator

Dilution Calculator

Reconstitution Calculator

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