LY2979165 - Moligand™, ≥98% , CAS No.1311385-32-6

CAS: 1311385-32-6 Cat. No.: L651431 Formule: C₁₃H₂₂N₆O₆S Poids moléculaire: 390.42

GRADE & PURITY Moligand™, ≥98%

Synonyms

AKOS037748829 | AC-35929 | AS-56455 | mGlu2 agonist | DTXSID00735345 | (1R,2S,4R,5R,6R)-4-((4H-1,2,4-Triazol-3-yl)thio)-2-((S)-2-aminopropanamido)bicyclo[3.1.0]hexane-2,6-dicarboxylic acid, ammonia salt hydrate | EX-A2093 | (1R,2S,4R,5R,6R)-2-[[(2S)-2-ami

Storage

Protected from light,Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Vue d’ensemble

LY2979165 is the alanine proagent of 2812223, a selective and potent orthosteric mGlu2 receptor agonist

Specifications

Synonymes

AKOS037748829 | AC-35929 | AS-56455 | mGlu2 agonist | DTXSID00735345 | (1R,2S,4R,5R,6R)-4-((4H-1,2,4-Triazol-3-yl)thio)-2-((S)-2-aminopropanamido)bicyclo[3.1.0]hexane-2,6-dicarboxylic acid, ammonia salt hydrate | EX-A2093 | (1R,2S,4R,5R,6R)-2-[[(2S)-2-ami

Spécifications et pureté

Moligand™, ≥98%

Mécanismes biochimiques et physiologiques

LY2979165 is the alanine proagent of 2812223, a selective and potent orthosteric mGlu2 receptor agonist.

Conditions de stockage de stockage

Protected from light,Store at -20°C,Desiccated

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Grade

Moligand™

Type d'action

AGONIST

Pureté

≥98%

Noms et identifiants

• Sourires canoniques: CC(C(=O)NC1(CC(C2C1C2C(=O)O)SC3=NC=NN3)C(=O)O)N.N.O
• IUPAC Name: (1R,2S,4R,5R,6R)-2-[[(2S)-2-aminopropanoyl]amino]-4-(1H-1,2,4-triazol-5-ylsulfanyl)bicyclo[3.1.0]hexane-2,6-dicarboxylic acid;azane;hydrate
• InChIKey: FICWTZOQUXUYOK-AHKKVLALSA-N
• INCHI: 1S/C13H17N5O5S.H3N.H2O/c1-4(14)9(19)17-13(11(22)23)2-5(24-12-15-3-16-18-12)6-7(8(6)13)10(20)21;;/h3-8H,2,14H2,1H3,(H,17,19)(H,20,21)(H,22,23)(H,15,16,18);1H3;1H2/t4-,5+,6-,7-,8-,13-;;/m0../s1
• Isomères SMILES: C[C@@H](C(=O)N[C@]1(C[C@H]([C@@H]2[C@H]1[C@H]2C(=O)O)SC3=NC=NN3)C(=O)O)N.N.O
• CAS alternatif: 1311385-35-9
• Poids moléculaire: 390.42

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Peptides
          • Level6 Dipeptides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Peptides
• Direct Parent: Dipeptides
• Alternative Parents: N-acyl-L-alpha-amino acids Alpha amino acid amides Alanine and derivatives Alkylarylthioethers Cyclopropanecarboxylic acids Dicarboxylic acids and derivatives Triazoles Heteroaromatic compounds Secondary carboxylic acid amides Amino acids Sulfenyl compounds Azacyclic compounds Carboxylic acids Organopnictogen compounds Monoalkylamines Carbonyl compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Alpha-dipeptide - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - N-acyl-l-alpha-amino acid - Alpha-amino acid amide - Alanine or derivatives - Alpha-amino acid or derivatives - Aryl thioether - Alkylarylthioether - Cyclopropanecarboxylic acid - Cyclopropanecarboxylic acid or derivatives - Dicarboxylic acid or derivatives - 1,2,4-triazole - Heteroaromatic compound - Azole - Amino acid - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Organoheterocyclic compound - Sulfenyl compound - Thioether - Azacycle - Carboxylic acid - Hydrocarbon derivative - Primary aliphatic amine - Amine - Organic oxygen compound - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Primary amine - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond.
• External Descriptors: Not available

Data sources

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

Propriétés chimiques et physiques

• Solubilité: H2O : ≥ 50 mg/mL (128.07 mM) DMSO : 1 mg/mL (2.56 mM; Need ultrasonic and warming)
• Sensibilité: Moisture sensitive
• Poids moléculaire: 390.420 g/mol
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 6
• Exact Mass: 390.132 Da
• Monoisotopic Mass: 390.132 Da
• Topological Polar Surface Area: 199.000 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 577.000
• 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: 3

XLogP3

Foire aux questions

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How should this product be stored?

Store at ?20 °C, protected from light, desiccated. Keep the container tightly closed with desiccant — the material is moisture-sensitive.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1311385-32-6, the molecular formula is C13H22N6O6S, and the molecular weight is 390.42 g/mol. InChIKey FICWTZOQUXUYOK-AHKKVLALSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.