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

CAS: 34562-97-5 Cat. No.: P423523 分子式: C₁₀H₁₂N₂O₃ 分子量: 208.22 EC番号: 609-002-1 PubChem CID: 60608

グレード＆純度 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

仕様

同義語

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

仕様と純度

10mM in DMSO

保管条件

Store at -80°C

入荷

Dry ice packs + Cold packs

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

名前と識別子

パブケム・シド

528770185

カノニカル・スマイル

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)

異性体SMILES

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

PubChem CID

60608

分子量

208.22

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 分類 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
• 分類: 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
• 説明: 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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作用メカニズム

化学的性質と物理的性質

• 融点（°C）: 213 °C
• 分子量: 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