α-(Methylamino)isobutyric acid - Moligand™, ≥97% , CAS No.2566-34-9

CAS: 2566-34-9 Cat. No.: M464376 Molecular Weight: 117.15 Beilstein Registry Number: 4(4)2618 EC Number: 219-898-2

GRADE & PURITY Moligand™, ≥97%

Synonyms

Methylphosphonothioic acid S-(2-(bis(1-methylethyl)amino)ethyl) O-ethyl ester | N,2-Dimethyl-DL-alanine | BDBM50357217 | N-(methylamino)isobutyric acid | N-Acetylbenzoquinoneimine | Q27083887 | 2-(Methylamino)-2-methylpropionic acid | SCHEMBL141814 | UNII

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Product Application:

α-(Methylamino)isobutyric acid (MeAIB) has been used:

as a system A transport system inhibitor to perform inhibition experiments

as a system A transport system inhibitor to study its effect on the generation of epileptiform field potentials (EFPs) in the acutely disinhibited cortical slices

as an N-acetyltransferase (SNAT) inhibitor in Hank′s balanced salt solution (HBSS) to study its influence on the uptake of 14C-cysteine/ radioactive-labeled cysteine

Specifications

Synonyms

Methylphosphonothioic acid S-(2-(bis(1-methylethyl)amino)ethyl) O-ethyl ester | N, 2-Dimethyl-DL-alanine | BDBM50357217 | N-(methylamino)isobutyric acid | N-Acetylbenzoquinoneimine | Q27083887 | 2-(Methylamino)-2-methylpropionic acid | SCHEMBL141814 | UNII

Specifications & Purity

Moligand™, ≥97%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488185158
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488185158
• Canonical Smiles: CC(C)(C(=O)O)NC
• IUPAC Name: 2-methyl-2-(methylamino)propanoic acid
• InChIKey: DLAMVQGYEVKIRE-UHFFFAOYSA-N
• INCHI: 1S/C5H11NO2/c1-5(2,6-3)4(7)8/h6H,1-3H3,(H,7,8)
• Isomeric SMILES: CC(C)(C(=O)O)NC
• Molecular Weight: 117.15
• Beilstein: 4(4)2618
• Reaxy-Rn: 1746984
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1746984&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Alpha amino acids

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Alpha amino acids
• Alternative Parents: Amino acids Monocarboxylic acids and derivatives Dialkylamines Carboxylic acids Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-amino acid - Amino acid - Carboxylic acid - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Secondary amine - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Amine - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as alpha amino acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon).
• 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

Associated Targets(Human)

SLC36A1 Tchem Proton-coupled amino acid transporter 1 (102 Activities)

Discover Target: SLC36A1

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

Mechanisms of Action

Chemical and Physical Properties

• Melt Point(°C): > 300 °C
• Molecular Weight: 117.150 g/mol
• XLogP3: -2.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 117.079 Da
• Monoisotopic Mass: 117.079 Da
• Topological Polar Surface Area: 49.300 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 98.600
• 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