3-Chloro-L-tyrosine - 10mM in Water , CAS No.7423-93-0

CAS: 7423-93-0 Cat. No.: C425781 Molecular Weight: 215.63 EC Number: 231-050-3

GRADE & PURITY 10mM in Water

Synonyms

AM83547 | meta-chlorotyrosine | S-7423-93-0 | 3-chloro-4-hydroxy-1-phenylalanine | 3-Cl-Tyr-OH | WELLBUTRINSR | (2S)-2-azaniumyl-3-(3-chloro-4-hydroxyphenyl)propanoate | AC-14498 | Prandol | CLY | HY-W041171 | s6106 | UNII-SY44C9MINA | M03243 | m-chloroty

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

Synonyms

AM83547 | meta-chlorotyrosine | S-7423-93-0 | 3-chloro-4-hydroxy-1-phenylalanine | 3-Cl-Tyr-OH | WELLBUTRINSR | (2S)-2-azaniumyl-3-(3-chloro-4-hydroxyphenyl)propanoate | AC-14498 | Prandol | CLY | HY-W041171 | s6106 | UNII-SY44C9MINA | M03243 | m-chloroty

Specifications & Purity

10mM in Water

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

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

Names and Identifiers

• Pubchem Sid: 528758743
• Canonical Smiles: C1=CC(=C(C=C1CC(C(=O)O)N)Cl)O
• IUPAC Name: (2S)-2-amino-3-(3-chloro-4-hydroxyphenyl)propanoic acid
• InChIKey: ACWBBAGYTKWBCD-ZETCQYMHSA-N
• INCHI: 1S/C9H10ClNO3/c10-6-3-5(1-2-8(6)12)4-7(11)9(13)14/h1-3,7,12H,4,11H2,(H,13,14)/t7-/m0/s1
• Isomeric SMILES: C1=CC(=C(C=C1C[C@@H](C(=O)O)N)Cl)O
• WGK Germany: 3
• Molecular Weight: 215.63
• Reaxy-Rn: 2696236
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2696236&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 Tyrosine 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: Tyrosine and derivatives
• Alternative Parents: Phenylalanine and derivatives Phenylpropanoic acids Amphetamines and derivatives L-alpha-amino acids O-chlorophenols 1-hydroxy-2-unsubstituted benzenoids Aralkylamines Chlorobenzenes Aryl chlorides Amino acids Monocarboxylic acids and derivatives Carboxylic acids Hydrocarbon derivatives Carbonyl compounds Organopnictogen compounds Organic oxides Organochlorides Monoalkylamines
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Tyrosine or derivatives - Phenylalanine or derivatives - 3-phenylpropanoic-acid - Alpha-amino acid - Amphetamine or derivatives - L-alpha-amino acid - 2-chlorophenol - 2-halophenol - 1-hydroxy-2-unsubstituted benzenoid - Halobenzene - Chlorobenzene - Phenol - Aralkylamine - Aryl halide - Benzenoid - Aryl chloride - Monocyclic benzene moiety - Amino acid - Monocarboxylic acid or derivatives - Carboxylic acid - Organic nitrogen compound - Organohalogen compound - Primary aliphatic amine - Organochloride - Organonitrogen compound - Organooxygen compound - Primary amine - 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 tyrosine and derivatives. These are compounds containing tyrosine or a derivative thereof resulting from reaction of tyrosine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
• External Descriptors: non-proteinogenic L-alpha-amino acid - L-tyrosine derivative - monochlorobenzenes - chloroamino acid

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

Mechanisms of Action

Chemical and Physical Properties

• Specific Rotation[α]: [α]24/D −2°, c = 1 in 1 M HCl
• Melt Point(°C): 249 °C
• Molecular Weight: 215.630 g/mol
• XLogP3: -1.800
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 215.035 Da
• Monoisotopic Mass: 215.035 Da
• Topological Polar Surface Area: 83.600 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 212.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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