trans-4-Hydroxycrotonic acid - ≥98% , CAS No.24587-49-3

CAS: 24587-49-3 Cat. No.: T341890 Fórmula: C₄H₆O₃ Peso molecular: 102.09 Número EC: 807-669-5 PubChem CID: 6155526

GRADE & PURITY ≥98%

Synonyms

(2E)-4-hydroxybut-2-enoic acid | 2-Butenoic acid, 4-hydroxy- | DTXCID504334 | BBL102925 | 4-Hydroxycrotonic acid | 4-hydroxy-crotonic acid | 4-HYDROXY-BUT-2-ENOICACID | 4-hydroxybut-2-enoicacid | T-HCA | BCP21499 | trans-4-hydroxycrotonic-acid | EC 233-26

Storage

Store at 2-8°C,Argon charged,Desiccated

Shipped In

Wet ice

Descripción general

trans-4-Hydroxycrotonic acid binds to the γ-hydroxybutyric acid (GHB) receptor with higher affinity than GHB itself. It may be an endogenous ligand.

Specifications

Sinónimos

(2E)-4-hydroxybut-2-enoic acid | 2-Butenoic acid, 4-hydroxy- | DTXCID504334 | BBL102925 | 4-Hydroxycrotonic acid | 4-hydroxy-crotonic acid | 4-HYDROXY-BUT-2-ENOICACID | 4-hydroxybut-2-enoicacid | T-HCA | BCP21499 | trans-4-hydroxycrotonic-acid | EC 233-26

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C,Argon charged,Desiccated

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Propiedades del producto

• pKa: pKₐ: 4.31 (Predicted)
• Datos Ki: Displacement of [3H]NCS-382 from GABAB receptor in rat brain homogenate: Ki= 1 μM (rat)

Nombres e identificadores

• Pubchem Sid: 504764026
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504764026
• Sonrisas canónicas: C(C=CC(=O)O)O
• IUPAC Name: (E)-4-hydroxybut-2-enoic acid
• InChIKey: RMQJECWPWQIIPW-OWOJBTEDSA-N
• INCHI: 1S/C4H6O3/c5-3-1-2-4(6)7/h1-2,5H,3H2,(H,6,7)/b2-1+
• Isómeros SMILES: C(/C=C/C(=O)O)O
• PubChem CID: 6155526
• Peso molecular: 102.09

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Clase Fatty Acyls
      • Subclass Fatty acids and conjugates

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydroxy fatty acids
• Alternative Parents: Unsaturated fatty acids Straight chain fatty acids Monocarboxylic acids and derivatives Carboxylic acids Primary alcohols Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Hydroxy fatty acid - Unsaturated fatty acid - Straight chain fatty acid - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Carbonyl group - Alcohol - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as hydroxy fatty acids. These are fatty acids in which the chain bears a hydroxyl group.
• External Descriptors: Hydroxy fatty acids

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

Objetivos asociados (no humanos)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in DMSO (100 mM).
• Sensibilidad: Moisture sensitive；light sensitive
• Índice de refracción: n20D1.50 (Predicted)
• Punto de ebullición (°C): ~338.75° C at 760 mmHg (Predicted)
• Punto de fusión (°C): 45.99° C (Predicted)
• Peso molecular: 102.090 g/mol
• XLogP3: -0.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 102.032 Da
• Monoisotopic Mass: 102.032 Da
• Topological Polar Surface Area: 57.500 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 84.900
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C, desiccated, under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 24587-49-3, the molecular formula is C4H6O3, and the molecular weight is 102.09 g/mol. InChIKey RMQJECWPWQIIPW-OWOJBTEDSA-N.

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.