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

CAS: 24587-49-3 Cat. No.: T341890 分子式: C₄H₆O₃ 分子量: 102.09 EC番号: 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

概要

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

同義語

(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

仕様と純度

≥98%

保管条件

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

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥98%

製品の性質

pKa

pKₐ: 4.31 (Predicted)

氣のデータ

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

名前と識別子

パブケム・シド

504764026

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/504764026

カノニカル・スマイル

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+

異性体SMILES

C(/C=C/C(=O)O)O

PubChem CID

6155526

分子量

102.09

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 分類: 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
• 説明: 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

関連ターゲット（非人間）

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

作用メカニズム

化学的性質と物理的性質

• 溶解度: Soluble in DMSO (100 mM).
• 感度: Moisture sensitive；light sensitive
• 屈折率: n20D1.50 (Predicted)
• 沸点（°C）: ~338.75° C at 760 mmHg (Predicted)
• 融点（°C）: 45.99° C (Predicted)
• 分子量: 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

よくある質問

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.