Seletracetam , Synaptic vesicle glycoprotein 2A modulator, CAS No.357336-74-4, Synaptic vesicle glycoprotein 2A modulator

CAS: 357336-74-4 Cat. No.: S671069 Peso molecular: 232.23 PubChem CID: 9942725

Synonyms

Seletracetam | D05817 | SELETRACETAM [INN] | (2S)-2-((4S)-4-(2,2-Difluoroethenyl)-2-oxopyrrolidin-1-yl)butanamide | AKOS040742623 | UCB-44212 | DTXSID30905079 | UNII-RFR2CH3QZK | HY-119810 | UCB 44212 | 1-Pyrrolidineacetamide, 4-(2,2-difluoroethenyl)-alph

Storage

Room temperature

Specifications

Sinónimos

Seletracetam | D05817 | SELETRACETAM [INN] | (2S)-2-((4S)-4-(2, 2-Difluoroethenyl)-2-oxopyrrolidin-1-yl)butanamide | AKOS040742623 | UCB-44212 | DTXSID30905079 | UNII-RFR2CH3QZK | HY-119810 | UCB 44212 | 1-Pyrrolidineacetamide, 4-(2, 2-difluoroethenyl)-alph

Condiciones de almacenamiento de almacenamiento

Room temperature

Tipo de acción

MODULATOR

Mecanismo de acción

Synaptic vesicle glycoprotein 2A modulator

Propiedades del producto

• ALogP: 0.3

Nombres e identificadores

• Sonrisas canónicas: CCC(C(=O)N)N1CC(CC1=O)C=C(F)F
• IUPAC Name: (2S)-2-[(4S)-4-(2,2-difluoroethenyl)-2-oxopyrrolidin-1-yl]butanamide
• InChIKey: ANWPENAPCIFDSZ-RQJHMYQMSA-N
• INCHI: 1S/C10H14F2N2O2/c1-2-7(10(13)16)14-5-6(3-8(11)12)4-9(14)15/h3,6-7H,2,4-5H2,1H3,(H2,13,16)/t6-,7+/m1/s1
• Isómeros SMILES: CC[C@@H](C(=O)N)N1C[C@@H](CC1=O)C=C(F)F
• PubChem CID: 9942725
• Peso molecular: 232.23

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives
• Direct Parent: Alpha amino acids and derivatives
• Alternative Parents: Pyrrolidine-2-ones Fatty amides N-alkylpyrrolidines Tertiary carboxylic acid amides Primary carboxylic acid amides Ketene acetals Lactams Vinyl fluorides Azacyclic compounds Fluoroalkenes Organic oxides Hydrocarbon derivatives Organofluorides Organonitrogen compounds Carbonyl compounds Organopnictogen compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Alpha-amino acid or derivatives - Fatty amide - Fatty acyl - Pyrrolidone - 2-pyrrolidone - N-alkylpyrrolidine - Pyrrolidine - Tertiary carboxylic acid amide - Carboxamide group - Ketene acetal or derivatives - Lactam - Primary carboxylic acid amide - Azacycle - Fluoroalkene - Haloalkene - Organoheterocyclic compound - Vinyl halide - Vinyl fluoride - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Organopnictogen compound - Organic oxide - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
• 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

Mecanismos de acción

Propiedades químicas y físicas

• Peso molecular: 232.230 g/mol
• XLogP3: 0.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 232.102 Da
• Monoisotopic Mass: 232.102 Da
• Topological Polar Surface Area: 63.400 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 327.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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