α-Methyl-DL-phenylalanine - Moligand™, ≥98% , Inhibitor of L-Phenylalanine hydroxylase , CAS No.1132-26-9, Inhibitor of L-Phenylalanine hydroxylase

CAS: 1132-26-9 Cat. No.: M166002 Molecular Weight: 179.22 Beilstein Registry Number: 2803960

GRADE & PURITY Moligand™, ≥98%

Synonyms

alpha-Methyl-DL-phenylalanine|1132-26-9|2-amino-2-methyl-3-phenylpropanoic acid|2-Amino-2-methyl-3-phenylpropionic acid|alpha-Methylphenylalanine|H-ALPHA-ME-DL-PHE-OH|Methylphenylalanine, alpha|dl-alpha-methylphenylalanine|67265D2JSG|Alanine, 2-methyl-3-p

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

alpha-Methyl-DL-phenylalanine | 1132-26-9 | 2-amino-2-methyl-3-phenylpropanoic acid | 2-Amino-2-methyl-3-phenylpropionic acid | alpha-Methylphenylalanine | H-ALPHA-ME-DL-PHE-OH | Methylphenylalanine, alpha | dl-alpha-methylphenylalanine | 67265D2JSG | Alanine, 2-methyl-3-p

Specifications & Purity

Moligand™, ≥98%

Storage

Room temperature

Shipped In

Normal

Grade

Moligand™

Action Type

INHIBITOR

Mechanism of action

Inhibitor of L-Phenylalanine hydroxylase

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504756649
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504756649
• Canonical Smiles: CC(CC1=CC=CC=C1)(C(=O)O)N
• IUPAC Name: 2-amino-2-methyl-3-phenylpropanoic acid
• InChIKey: HYOWVAAEQCNGLE-UHFFFAOYSA-N
• INCHI: 1S/C10H13NO2/c1-10(11,9(12)13)7-8-5-3-2-4-6-8/h2-6H,7,11H2,1H3,(H,12,13)
• Isomeric SMILES: CC(CC1=CC=CC=C1)(C(=O)O)N
• WGK Germany: 3
• Molecular Weight: 179.22
• Beilstein: 2803960
• Reaxy-Rn: 2803960
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2803960&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Class Phenylpropanoic acids

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Class: Phenylpropanoic acids
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpropanoic acids
• Alternative Parents: Amphetamines and derivatives Alpha amino acids Phenylpropanes Aralkylamines Amino acids Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 3-phenylpropanoic-acid - Alpha-amino acid - Alpha-amino acid or derivatives - Amphetamine or derivatives - Phenylpropane - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Amino acid or derivatives - Amino acid - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organonitrogen compound - Primary aliphatic amine - Organooxygen compound - Organic oxide - Carbonyl group - Organic nitrogen compound - Organopnictogen compound - Primary amine - Amine - Organic oxygen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylpropanoic acids. These are compounds with a structure containing a benzene ring conjugated to a propanoic acid.
• 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)

PAH Tclin Phenylalanine-4-hydroxylase (0 Activities)

Discover Target: PAH

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Mechanisms of Action

Chemical and Physical Properties

• Melt Point(°C): 293-294 °C
• Molecular Weight: 179.220 g/mol
• XLogP3: -1.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 179.095 Da
• Monoisotopic Mass: 179.095 Da
• Topological Polar Surface Area: 63.300 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 187.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1