structure of Unii-jwv15QH0OB

Unii-jwv15QH0OB

CAS No.: 1192224-26-2
M. Wt: 646.8
M. Fa: C36H50N6O5
InChI Key: CUXBSWCTEGIRQD-SYQUUIDJSA-N

Names and Identifiers of Unii-jwv15QH0OB

CAS Number

1192224-26-2

IUPAC Name

methyl N-[(2S)-1-[2-[(2S,3S)-3-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-2-hydroxy-4-phenylbutyl]-2-[(4-pyridin-2-ylphenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate

InChI

InChI=1S/C36H50N6O5/c1-35(2,3)30(37)32(44)39-28(21-24-13-9-8-10-14-24)29(43)23-42(41-33(45)31(36(4,5)6)40-34(46)47-7)22-25-16-18-26(19-17-25)27-15-11-12-20-38-27/h8-20,28-31,43H,21-23,37H2,1-7H3,(H,39,44)(H,40,46)(H,41,45)/t28-,29-,30+,31+/m0/s1

InChIKey

CUXBSWCTEGIRQD-SYQUUIDJSA-N

Canonical SMILES

CC(C)(C)C(C(=O)NC(CC1=CC=CC=C1)C(CN(CC2=CC=C(C=C2)C3=CC=CC=N3)NC(=O)C(C(C)(C)C)NC(=O)OC)O)N

Isomeric SMILES

CC(C)(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@H](CN(CC2=CC=C(C=C2)C3=CC=CC=N3)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O)N

UNII

JWV15QH0OB

Physical and chemical properties of Unii-jwv15QH0OB

Molecular Formula

C36H50N6O5

Molecular Weight

646.8

Applications of Unii-jwv15QH0OB

N-(methoxycarbonyl)-3-methyl-L-valine has several potential applications:

  • Pharmaceutical Development: As an active ingredient in drug formulations aimed at treating metabolic disorders or as a supplement for enhancing athletic performance.
  • Research Tool: Used in biochemical studies to understand metabolic pathways involving branched-chain amino acids.
  • Chemical Synthesis: Serves as an intermediate in the synthesis of more complex organic molecules or pharmaceuticals.

Its unique structure allows it to participate in various

Interaction Studies of Unii-jwv15QH0OB

Studies on the interactions of N-(methoxycarbonyl)-3-methyl-L-valine with other biological molecules are crucial for understanding its pharmacological profile. Potential interaction studies include:

  • Protein Binding Studies: Investigating how this compound interacts with plasma proteins, which affects its bioavailability.
  • Enzyme Inhibition/Activation: Assessing whether it acts as an inhibitor or activator of specific enzymes involved in metabolic pathways.
  • Receptor Binding Assays: Evaluating its affinity for various receptors that may mediate its biological effects.

Such studies provide insights into how this compound might behave within biological systems and contribute to therapeutic effects.

Biological Activity of Unii-jwv15QH0OB

N-(methoxycarbonyl)-3-methyl-L-valine has been studied for its potential biological activities, particularly in relation to its role as an active pharmaceutical ingredient. Its structure suggests that it may exhibit properties such as:

  • Antimicrobial Activity: Some derivatives of amino acids have shown effectiveness against various bacterial strains.
  • Antitumor Properties: Certain amino acid derivatives are investigated for their ability to inhibit cancer cell growth.
  • Metabolic Regulation: As a branched-chain amino acid derivative, it may influence metabolic pathways related to energy production and muscle metabolism.

Research into its specific biological effects is ongoing, with studies focusing on its pharmacodynamics and pharmacokinetics.