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

CAS: 24587-49-3 Cat. No.: T341890 Summenformel: C₄H₆O₃ Molekulargewicht: 102.09 EG-Nummer: 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

Übersicht

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

Synonyme

(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

Spezifikationen & Reinheit

≥98%

Storage

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

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%

Produkteigenschaften

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

Namen und Kennungen

• Pubchem Sid: 504764026
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504764026
• Kanonisches Lächeln: 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+
• Isomere SMILES: C(/C=C/C(=O)O)O
• PubChem CID: 6155526
• Molekulargewicht: 102.09

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Klasse: 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
• Beschreibung: 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

Zugehörige Ziele (nicht menschlich)

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in DMSO (100 mM).
• Empfindlichkeit: Moisture sensitive；light sensitive
• Brechungsindex: n20D1.50 (Predicted)
• Siedepunkt (°C): ~338.75° C at 760 mmHg (Predicted)
• Schmelzpunkt (°C): 45.99° C (Predicted)
• Molekulargewicht: 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

Häufig gestellte Fragen

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.