(2R,3S)-Chlorpheg , CAS No.140924-23-8

CAS: 140924-23-8 Cat. No.: R288343 Formula: C₁₁H₁₂ClNO₄ Peso molecolare: 257.67 PubChem CID: 6604761

Synonyms

(2R,3S)-β-p-Chlorophenylglutamic acid

Storage

Room temperature

Shipped In

Normal

Specifiche

Sinonimi

(2R,3S)-β-p-Chlorophenylglutamic acid

Meccanismi biochimici e fisiologici

A weakly active NMDA receptor antagonist.

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Nomi e identificatori

Sorrisi canonici

C1=CC(=CC=C1C(CC(=O)O)C(C(=O)O)N)Cl

IUPAC Name

(2R,3R)-2-amino-3-(4-chlorophenyl)pentanedioic acid

InChIKey

ZHXBCPSYEAQEHB-PSASIEDQSA-N

INCHI

1S/C11H12ClNO4/c12-7-3-1-6(2-4-7)8(5-9(14)15)10(13)11(16)17/h1-4,8,10H,5,13H2,(H,14,15)(H,16,17)/t8-,10-/m1/s1

Isomeri SMILES

C1=CC(=CC=C1[C@@H](CC(=O)O)[C@H](C(=O)O)N)Cl

PubChem CID

6604761

Peso molecolare

257.67

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Classe: Phenylpropanoic acids
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpropanoic acids
• Alternative Parents: D-alpha-amino acids Chlorobenzenes Aralkylamines Amino fatty acids Dicarboxylic acids and derivatives Aryl chlorides Amino acids Carboxylic acids Organochlorides Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 3-phenylpropanoic-acid - Alpha-amino acid - Alpha-amino acid or derivatives - D-alpha-amino acid - Amino fatty acid - Chlorobenzene - Halobenzene - Aralkylamine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Fatty acyl - Benzenoid - Amino acid - Amino acid or derivatives - Carboxylic acid derivative - Carboxylic acid - Primary amine - Hydrocarbon derivative - Primary aliphatic amine - Organohalogen compound - Carbonyl group - Amine - Organic oxygen compound - Organic nitrogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic oxide - Aromatic homomonocyclic compound
• Descrizione: 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

Obiettivi associati (umani)

CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)

Discover Target: CYP2D6

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CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)

Discover Target: CYP1A2

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CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)

Discover Target: CYP2C9

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CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)

Discover Target: CYP2C19

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

CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

Discover Target: CYP3A4

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

USP1 Tchem Ubiquitin carboxyl-terminal hydrolase 1 (22556 Activities)

Discover Target: USP1

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Obiettivi associati (non umani)

Rattus norvegicus (775804 Activities)

Explore this target

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Solvent:1eq. NaOH, Max Conc. mg/mL: 19.33, Max Conc. mM: 75 with gentle warming
• Peso molecolare: 257.670 g/mol
• XLogP3: -1.500
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 257.045 Da
• Monoisotopic Mass: 257.045 Da
• Topological Polar Surface Area: 101.000 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 289.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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

Domande frequenti

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 140924-23-8, the molecular formula is C??H??ClNO?, and the molecular weight is 257.67 g/mol. InChIKey ZHXBCPSYEAQEHB-PSASIEDQSA-N.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.