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

CAS: 1311385-32-6 Cat. No.: L651431 Peso molecular: 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

Descripción general

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

Specifications

Sinónimos

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

Especificaciones y pureza

Moligand™, ≥98%

Mecanismos bioquímicos y fisiológicos

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

Condiciones de almacenamiento de almacenamiento

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

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Grado

Moligand™

Tipo de acción

AGONIST

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: 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
• Isómeros 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 alternativo: 1311385-35-9
• Peso molecular: 390.42

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Solubilidad: H2O : ≥ 50 mg/mL (128.07 mM) DMSO : 1 mg/mL (2.56 mM; Need ultrasonic and warming)
• Sensibilidad: Moisture sensitive
• Peso molecular: 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