≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
LysRs-IN-1 is a Lysyl-tRNA synthetase (LysRs) inhibitor.
Form:Solid
IC50& Target:LysRs
| Canonical Smiles | C1=NC2=C(N1CC(=O)O)N=C(NC2=O)N |
|---|---|
| IUPAC Name | 2-(2-amino-6-oxo-1H-purin-9-yl)acetic acid |
| InChIKey | PJFWBSLAJQMJJS-UHFFFAOYSA-N |
| INCHI | 1S/C7H7N5O3/c8-7-10-5-4(6(15)11-7)9-2-12(5)1-3(13)14/h2H,1H2,(H,13,14)(H3,8,10,11,15) |
| Isomeric SMILES | C1=NC2=C(N1CC(=O)O)N=C(NC2=O)N |
| PubChem CID | 135731675 |
| Molecular Weight | 209.16 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Imidazopyrimidines |
| Subclass | Purines and purine derivatives |
| Intermediate Tree Nodes | Purinones |
| Direct Parent | Hypoxanthines |
| Alternative Parents | Alpha amino acids and derivatives 6-oxopurines Pyrimidones Aminopyrimidines and derivatives N-substituted imidazoles Vinylogous amides Heteroaromatic compounds Amino acids Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Primary amines Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 6-oxopurine - Alpha-amino acid or derivatives - Hypoxanthine - Aminopyrimidine - Pyrimidone - N-substituted imidazole - Pyrimidine - Azole - Imidazole - Heteroaromatic compound - Vinylogous amide - Amino acid - Amino acid or derivatives - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Azacycle - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organic oxide - Primary amine - Amine - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as hypoxanthines. These are compounds containing the purine derivative 1H-purin-6(9H)-one. Purine is a bicyclic aromatic compound made up of a pyrimidine ring fused to an imidazole ring. |
| External Descriptors | Not available |
| Solubility | DMSO : 83.33 mg/mL (398.40 mM; ultrasonic and warming and heat to 60°C) |
|---|---|
| Molecular Weight | 209.160 g/mol |
| XLogP3 | -1.400 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 209.055 Da |
| Monoisotopic Mass | 209.055 Da |
| Topological Polar Surface Area | 123.000 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 342.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| 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 |
