Valrocemide - ≥98% , CAS No.92262-58-3

CAS: 92262-58-3 Cat. No.: V412254 Formula: C₁₀H₂₀N₂O₂ Peso molecolare: 200.28 PubChem CID: 6918293

GRADE & PURITY ≥98%

Synonyms

TV 1901 | Valrocemide [INN] | Z1269244696 | 1-Amino-4-bromonaphthalene, 97% | BCP25525 | PENTANAMIDE, N-(2-AMINO-2-OXOETHYL)-2-PROPYL | Pentanamide, N-(2-amino-2-oxoethyl)-2-propyl- | SCHEMBL4014030 | Valrocemide [USAN:INN] | DB06657 | N-Valproylglycinami

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Panoramica

Information

Valrocemide (N-Valproylglycinamide, TV1901) is a promising antiepileptic drug candidate with a broad spectrum of anticonvulsant activity.

Specifications

Sinonimi

TV 1901 | Valrocemide [INN] | Z1269244696 | 1-Amino-4-bromonaphthalene, 97% | BCP25525 | PENTANAMIDE, N-(2-AMINO-2-OXOETHYL)-2-PROPYL | Pentanamide, N-(2-amino-2-oxoethyl)-2-propyl- | SCHEMBL4014030 | Valrocemide [USAN:INN] | DB06657 | N-Valproylglycinami

Specifiche e purezza

≥98%

Meccanismi biochimici e fisiologici

Valrocemide (N-Valproylglycinamide, TV1901) is a promising antiepileptic drug candidate with a broad spectrum of anticonvulsant activity.

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥98%

Nomi e identificatori

• Pubchem Sid: 528769197
• Sorrisi canonici: CCCC(CCC)C(=O)NCC(=O)N
• IUPAC Name: N-(2-amino-2-oxoethyl)-2-propylpentanamide
• InChIKey: RALGCAOVRLYSMA-UHFFFAOYSA-N
• INCHI: 1S/C10H20N2O2/c1-3-5-8(6-4-2)10(14)12-7-9(11)13/h8H,3-7H2,1-2H3,(H2,11,13)(H,12,14)
• Isomeri SMILES: CCCC(CCC)C(=O)NCC(=O)N
• PubChem CID: 6918293
• Peso molecolare: 200.28

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 Alpha amino acids and derivatives
            • Level7 N-acyl-alpha 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 - Alpha amino acids and derivatives
• Direct Parent: N-acyl-alpha amino acids and derivatives
• Alternative Parents: N-acyl amines Secondary carboxylic acid amides Primary carboxylic acid amides Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: N-acyl-alpha amino acid or derivatives - Fatty acyl - N-acyl-amine - Fatty amide - Secondary carboxylic acid amide - Primary carboxylic acid amide - Carboxamide group - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic acyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at its terminal nitrogen 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

Obiettivi associati (non umani)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mus musculus (284745 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Meccanismi d'azione

Proprietà chimiche e fisiche

• Peso molecolare: 200.280 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 200.152 Da
• Monoisotopic Mass: 200.152 Da
• Topological Polar Surface Area: 72.200 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 187.000
• 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