Picamilon - 10mM in DMSO , CAS No.34562-97-5

CAS: 34562-97-5 Cat. No.: P423523 Formule: C₁₀H₁₂N₂O₃ Poids moléculaire: 208.22 Numéro CE: 609-002-1 PubChem CID: 60608

QUALITÉ & PURETÉ 10mM in DMSO

Synonyms

4-(pyridine-3-carbonylamino)butanoic acid;Pikamilone | N-nicotinoyl-gamma-aminobutyric acid | AC-33105 | Pikamilon | 4-(Nicotinamido)butanoic acid | s5363 | GABA-NG | NAJVRARAUNYNDX-UHFFFAOYSA-N | Picamilon | 3-((3-Carboxypropyl)carbamoyl)pyridine | PIKAT

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Spécifications

Synonymes

4-(pyridine-3-carbonylamino)butanoic acid;Pikamilone | N-nicotinoyl-gamma-aminobutyric acid | AC-33105 | Pikamilon | 4-(Nicotinamido)butanoic acid | s5363 | GABA-NG | NAJVRARAUNYNDX-UHFFFAOYSA-N | Picamilon | 3-((3-Carboxypropyl)carbamoyl)pyridine | PIKAT

Spécifications et pureté

10mM in DMSO

Conditions de stockage de stockage

Store at -80°C

Expédié en

Dry ice packs + Cold packs

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

Noms et identifiants

Pubchem Sid

528770185

Sourires canoniques

C1=CC(=CN=C1)C(=O)NCCCC(=O)O

IUPAC Name

4-(pyridine-3-carbonylamino)butanoic acid

InChIKey

NAJVRARAUNYNDX-UHFFFAOYSA-N

INCHI

1S/C10H12N2O3/c13-9(14)4-2-6-12-10(15)8-3-1-5-11-7-8/h1,3,5,7H,2,4,6H2,(H,12,15)(H,13,14)

Isomères SMILES

C1=CC(=CN=C1)C(=O)NCCCC(=O)O

PubChem CID

60608

Poids moléculaire

208.22

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives
• Direct Parent: Gamma amino acids and derivatives
• Alternative Parents: Nicotinamides Heteroaromatic compounds Secondary carboxylic acid amides Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Gamma amino acid or derivatives - Nicotinamide - Pyridine carboxylic acid or derivatives - Pyridine - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as gamma amino acids and derivatives. These are amino acids having a (-NH2) group attached to the gamma carbon atom.
• 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

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Mécanismes d'action

Propriétés chimiques et physiques

• Point de fusion (°C): 213 °C
• Poids moléculaire: 208.210 g/mol
• XLogP3: -0.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 208.085 Da
• Monoisotopic Mass: 208.085 Da
• Topological Polar Surface Area: 79.300 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 231.000
• 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