4-Chloro-DL-phenylalanine methyl ester hydrochloride - ≥98% , CAS No.14173-40-1

CAS: 14173-40-1 Cat. No.: C117072 Molecular Weight: 250.12 EC Number: 238-024-0

GRADE & PURITY ≥98%

Synonyms

SMR001230706 | A807800 | CCG-221615 | Tox21_500311 | DL-p-Chlorophenylalanine methyl ester HCl | EN300-7387742 | methyl 2-amino-3-(4-chlorophenyl)propanoate hydrochloride | C 3635 | FT-0651264 | 4-Chloro-L-phenylalanine methyl ester HCl | AKOS016002251 |

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

4-Chloro-DL-phenylalanine methyl ester hydrochloride stimulates glucose intolerance in pregnant mice.[1] Studies have shown that 4-Chloro-DL-phenylalanine methyl ester hydrochloride is associated with cognitive defects in rodents.

Application

4-Chloro-DL-phenylalanine methyl ester hydrochloride has been used to induce 5-hydroxytryptamine (5-HT) depletion in rats.

Specifications

Synonyms

SMR001230706 | A807800 | CCG-221615 | Tox21_500311 | DL-p-Chlorophenylalanine methyl ester HCl | EN300-7387742 | methyl 2-amino-3-(4-chlorophenyl)propanoate hydrochloride | C 3635 | FT-0651264 | 4-Chloro-L-phenylalanine methyl ester HCl | AKOS016002251 |

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

Tryptophan hydroxylase inhibitor. Crosses blood brain barrier better than p−chlorophenylalanine.

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.

Action Type

INHIBITOR

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488192375
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488192375
• Canonical Smiles: COC(=O)C(CC1=CC=C(C=C1)Cl)N.Cl
• IUPAC Name: methyl 2-amino-3-(4-chlorophenyl)propanoate;hydrochloride
• InChIKey: GCBCWTWQAFLKJG-UHFFFAOYSA-N
• INCHI: 1S/C10H12ClNO2.ClH/c1-14-10(13)9(12)6-7-2-4-8(11)5-3-7;/h2-5,9H,6,12H2,1H3;1H
• Isomeric SMILES: COC(=O)C(CC1=CC=C(C=C1)Cl)N.Cl
• WGK Germany: 3
• Alternate CAS: 23434-96-0
• Molecular Weight: 250.12
• Reaxy-Rn: 3635813
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3635813&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 Phenylalanine and derivatives

• 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: Phenylalanine and derivatives
• Alternative Parents: Alpha amino acid esters Amphetamines and derivatives Fatty acid esters Chlorobenzenes Aralkylamines Aryl chlorides Methyl esters Monocarboxylic acids and derivatives Organopnictogen compounds Organochlorides Organic oxides Organic chloride salts Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylalanine or derivatives - Alpha-amino acid ester - Amphetamine or derivatives - Aralkylamine - Chlorobenzene - Fatty acid ester - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Methyl ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organochloride - Organohalogen compound - Organonitrogen compound - Primary aliphatic amine - Organooxygen compound - Primary amine - Organic salt - Organic chloride salt - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Amine - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylalanine and derivatives. These are compounds containing phenylalanine or a derivative thereof resulting from reaction of phenylalanine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
• 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)

EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)

Discover Target: EHMT2

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

GMNN Tbio Geminin (128009 Activities)

Discover Target: GMNN

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

PMP22 Tbio Peripheral myelin protein 22 (699 Activities)

Discover Target: PMP22

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

Associated Targets(non-human)

Npsr1 Neuropeptide S receptor (260 Activities)

Discover Target: Npsr1

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): 184-188°C
• Molecular Weight: 250.120 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 249.032 Da
• Monoisotopic Mass: 249.032 Da
• Topological Polar Surface Area: 52.300 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 191.000
• 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: 2

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