structure of Valrocemide

Valrocemide

CAS No.: 92262-58-3
M. Wt: 200.27800
M. Fa: C10H20N2O2
InChI Key: RALGCAOVRLYSMA-UHFFFAOYSA-N
Appearance: White Solid

Names and Identifiers of Valrocemide

CAS Number

92262-58-3

EC Number

618-831-8

IUPAC Name

N-(2-amino-2-oxoethyl)-2-propylpentanamide

InChI

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)

InChIKey

RALGCAOVRLYSMA-UHFFFAOYSA-N

Canonical SMILES

CCCC(CCC)C(=O)NCC(=O)N

UNII

1C7GO6OW7L

Physical and chemical properties of Valrocemide

Appearance of Characters

white solid

Boiling Point

417.5ºC at 760 mmHg

Density

0.997

Exact Mass

200.15200

Flash Point

206.3ºC

Index of Refraction

1.465

LogP

1.89550

Molecular Formula

C10H20N2O2

Molecular Weight

200.27800

PSA

72.19000

Storage condition

-20℃

Applications of Valrocemide

Valrocemide is primarily investigated for its application as an anticonvulsant agent. Its potential use extends beyond epilepsy; it may also be beneficial in treating other neurological disorders where modulation of GABAergic activity is crucial. Additionally, due to its structural similarity to valproic acid, it could serve as a basis for developing further derivatives with improved pharmacological properties.

Interaction Studies of Valrocemide

Valrocemide's interactions with other drugs and biological systems have been explored to understand its pharmacokinetics better. Interaction studies have indicated that it may alter the metabolism of co-administered drugs due to competition for metabolic pathways, particularly those involving cytochrome P450 enzymes. These interactions are essential for assessing drug-drug interactions and optimizing therapeutic regimens.

Biological Activity of Valrocemide

Valrocemide exhibits notable anticonvulsant activity. It has been shown to increase the concentration of gamma-aminobutyric acid (GABA) in the brain, a neurotransmitter that plays a critical role in inhibiting neuronal excitability throughout the nervous system. This mechanism is similar to that of valproic acid but aims to achieve a better safety profile.

Additionally, studies suggest that valrocemide may have a lower incidence of side effects compared to its parent compound, making it a candidate for further clinical investigation in epilepsy management.

Physical sample testing spectrum (NMR) of Valrocemide

Physical sample testing spectrum (NMR) of Valrocemide

Retrosynthesis analysis of Valrocemide

  • Route#1

    Cas:2936-08-5
    Cas:92262-58-3