3-(2,4-Dihydroxyphenyl)propionic acid - 10mM in DMSO , CAS No.5631-68-5

CAS: 5631-68-5 Cat. No.: D424768 Formule: C₉H₁₀O₄ Poids moléculaire: 182.17

GRADE & PURITY 10mM in DMSO

Synonyms

A869973 | HY-N1750 | NCIOpen2_000618 | STL034241 | (E)-3-(methyl(phenyl)amino)acrylaldehyde | MFCD00143017 | AB92943 | NSC 71551 | AI3-13072 | 3-(2,4-dihydroxyphenyl)propanoic acid | HMCMTJPPXSGYJY-UHFFFAOYSA-N | EN300-37040 | 2,4-Dihydroxyhydrocinnamic a

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Vue d’ensemble

Product Application:

3-(2,4-Dihydroxyphenyl)propionic acid (DHPPA) may be used as substrate for the o-diphenolase in microplate assays of serum and hemocyte supernatants from QXR3 and wild type oysters for the quantitation of o-diphenolase activity.

Specifications

Synonymes

A869973 | HY-N1750 | NCIOpen2_000618 | STL034241 | (E)-3-(methyl(phenyl)amino)acrylaldehyde | MFCD00143017 | AB92943 | NSC 71551 | AI3-13072 | 3-(2,4-dihydroxyphenyl)propanoic acid | HMCMTJPPXSGYJY-UHFFFAOYSA-N | EN300-37040 | 2,4-Dihydroxyhydrocinnamic a

Spécifications et pureté

10mM in DMSO

Conditions de stockage de stockage

Store at -80°C

Expédié en

Dry ice packs + Cold packs

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Type d'action

INHIBITOR

Noms et identifiants

Pubchem Sid

528758087

Sourires canoniques

C1=CC(=C(C=C1O)O)CCC(=O)O

IUPAC Name

3-(2,4-dihydroxyphenyl)propanoic acid

InChIKey

HMCMTJPPXSGYJY-UHFFFAOYSA-N

INCHI

1S/C9H10O4/c10-7-3-1-6(8(11)5-7)2-4-9(12)13/h1,3,5,10-11H,2,4H2,(H,12,13)

Isomères SMILES

C1=CC(=C(C=C1O)O)CCC(=O)O

WGK Allemagne

3

Poids moléculaire

182.17

Reaxy-Rn

2694769

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2694769&ln=

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: Resorcinols 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 3-phenylpropanoic-acid - Resorcinol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Benzenoid - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Carbonyl group - Organic oxygen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - 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

Mécanismes d'action

Propriétés chimiques et physiques

• Point de fusion (°C): 158-162°C
• Poids moléculaire: 182.170 g/mol
• XLogP3: 0.200
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 182.058 Da
• Monoisotopic Mass: 182.058 Da
• Topological Polar Surface Area: 77.800 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 180.000
• 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