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Aminoacyl tRNA synthetase-IN-1 - Moligand™, ≥98%, high purity , CAS No.219931-45-0

COA

Grade & Purity:

Moligand™

≥98%

Cas Number: 219931-45-0
Molecular Weight: 459.48
PubChem CID: 10095725

In stock

Item Number

A767156

Grouped product items
SKU	Size	Availability	Price	Qty
A767156-1mg	1mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$189.90
A767156-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$569.90

View related series

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

Basic Description

Specifications & Purity	Moligand™, ≥98%
Biochemical and Physiological Mechanisms	Aminoacyl tRNA synthetase-IN-1 is a bacterial aminoacyl tRNA synthetase ( aaRS ) inhibitor.
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Grade	Moligand™
Product Description	Aminoacyl tRNA synthetase-IN-1 is a bacterial aminoacyl tRNA synthetase (aaRS) inhibitor.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Nucleosides, nucleotides, and analogues
  - Class Purine nucleosides

Kingdom	Organic compounds
Superclass	Nucleosides, nucleotides, and analogues
Class	Purine nucleosides
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Purine nucleosides
Alternative Parents	Isoleucine and derivatives Glycosylamines 6-aminopurines Pentoses Aminopyrimidines and derivatives Imidolactams N-substituted imidazoles Oxolanes Heteroaromatic compounds Organic sulfuric acids and derivatives Secondary alcohols 1,2-diols Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Monoalkylamines
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Purine nucleoside - Isoleucine or derivatives - N-glycosyl compound - Glycosyl compound - 6-aminopurine - Alpha-amino acid or derivatives - Pentose monosaccharide - Imidazopyrimidine - Purine - Aminopyrimidine - Monosaccharide - N-substituted imidazole - Imidolactam - Pyrimidine - Imidazole - Heteroaromatic compound - Organic sulfuric acid or derivatives - Azole - Oxolane - Amino acid or derivatives - 1,2-diol - Secondary alcohol - Azacycle - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Organic nitrogen compound - Primary aliphatic amine - Organonitrogen compound - Carbonyl group - Organooxygen compound - Primary amine - Hydrocarbon derivative - Amine - Organic oxide - Alcohol - Organic oxygen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as purine nucleosides. These are compounds comprising a purine base attached to a ribosyl or deoxyribosyl moiety.
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	[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl N-[(2S,3S)-2-amino-3-methylpentanoyl]sulfamate
INCHI	InChI=1S/C16H25N7O7S/c1-3-7(2)9(17)15(26)22-31(27,28)29-4-8-11(24)12(25)16(30-8)23-6-21-10-13(18)19-5-20-14(10)23/h5-9,11-12,16,24-25H,3-4,17H2,1-2H3,(H,22,26)(H2,18,19,20)/t7-,8+,9-,11+,12+,16+/m0/s1
InChIKey	ADKZHDGLJXVNIT-VBJYJYTRSA-N
Smiles	CCC(C)C(C(=O)NS(=O)(=O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)O)N
Isomeric SMILES	CC[C@H](C)[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O)N
Molecular Weight	459.48

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

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

Analytical Chart:

Chemical and Physical Properties

Solubility	DMSO : 65 mg/mL (141.46 mM; Need ultrasonic)
Molecular Weight	459.500 g/mol
XLogP3	-2.000
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	8
Exact Mass	459.154 Da
Monoisotopic Mass	459.154 Da
Topological Polar Surface Area	226.000 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	738.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	6
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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