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Epetraborole , Leucine--tRNA ligase inhibitor, CAS No.1093643-37-8, Leucine--tRNA ligase inhibitor

COA

Cas Number: 1093643-37-8
Molecular Weight: 237.06
PubChem CID: 46836890

In stock

Item Number

E669779

Grouped product items
SKU	Size	Availability	Price	Qty
E669779-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,163.90
E669779-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,552.90

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Bacterial (3013) Nucleic Acid Metabolism (395)

Basic Description

Synonyms	Epetraborole \| (3S)-3-(aminomethyl)-7-(3-hydroxypropoxy)-1,3-dihydro-2,1-benzoxaborol-1-ol \| (s)-3-aminomethyl-7-(3-hydroxy-propoxy)-3h-benzo[c][1,2]oxaborol-1-ol \| AN-3365 \| EX-A2426 \| UNII-6MC93Z2DF9 \| CHEMBL3549142 \| 3-[[(3S)-3-(aminomethyl)-1-hydroxy-
Action Type	INHIBITOR
Mechanism of action	Leucine--tRNA ligase inhibitor

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 Organometalloid compounds Monoalkylamines Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Phenol ether - Alkyl aryl ether - Aralkylamine - Boronic acid ester - 1,2-oxaborole derivative - Boronic acid derivative - Oxacycle - Organoheterocyclic compound - Organic metalloid salt - Ether - Hydrocarbon derivative - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organic metalloid moeity - Primary aliphatic amine - Organic oxygen compound - Alcohol - Primary alcohol - Amine - Primary amine - 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

Names and Identifiers

IUPAC Name	3-[[(3S)-3-(aminomethyl)-1-hydroxy-3H-2,1-benzoxaborol-7-yl]oxy]propan-1-ol
INCHI	InChI=1S/C11H16BNO4/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/t10-/m1/s1
InChIKey	FXQIIDINBDJDKL-SNVBAGLBSA-N
Smiles	NC[C@H]1OB(O)C2=C1C=CC=C2OCCCO
Isomeric SMILES	B1(C2=C(C=CC=C2OCCCO)[C@H](O1)CN)O
PubChem CID	46836890
Molecular Weight	237.06

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	237.060 g/mol
XLogP3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	237.117 Da
Monoisotopic Mass	237.117 Da
Topological Polar Surface Area	84.900 Å²
Heavy Atom Count	17
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	1

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