3-Ureidopropionic acid - ≥98%(T) , CAS No.462-88-4

CAS: 462-88-4 Cat. No.: U170466 Fórmula: C₄H₈N₂O₃ Peso molecular: 132.12 Beilstein Registry Number: 1705260 Número EC: 820-838-8 PubChem CID: 111

GRADE & PURITY ≥98%(T)

Synonyms

Carbamoyl-b-alanine | bmse000333 | Carbamoyl- | EN300-10729 | Carbamoyl--Ala-OH | N-Carbamoyl- | HY-113285 | s6143 | F5C2CDE7-4DD6-42C0-9111-B868B847F389 | CHEBI:18261 | N-(AMINOCARBONYL)-.BETA.-ALANINE | 3-(carbamoylamino)propanoic acid | .beta.-Alanine,

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Explanation：

Ureidopropionic acid is an intermediate in the metabolism of uracil. More specifically it is a breakdown product of dihydrouracil and is produced by the enzyme dihydropyrimidase. It is further decomposed to beta-alanine via the enzyme beta-ureidopropionase. Ureidopropionic acid is essentially a urea derivative of beta-alanine. High levels of Ureidopropionic acid are found in individuals with beta-ureidopropionase (UP) deficiency. Enzyme deficiencies in pyrimidine metabolism are associated with a risk for severe toxicity against the antineoplastic agent 5-fluorouracil；

Specifications

Sinónimos

Carbamoyl-b-alanine | bmse000333 | Carbamoyl- | EN300-10729 | Carbamoyl--Ala-OH | N-Carbamoyl- | HY-113285 | s6143 | F5C2CDE7-4DD6-42C0-9111-B868B847F389 | CHEBI:18261 | N-(AMINOCARBONYL)-.BETA.-ALANINE | 3-(carbamoylamino)propanoic acid | .beta.-Alanine,

Especificaciones y pureza

≥98%(T)

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

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

Pureza

≥98%(T)

Nombres e identificadores

• Pubchem Sid: 504750351
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504750351
• Sonrisas canónicas: C(CNC(=O)N)C(=O)O
• IUPAC Name: 3-(carbamoylamino)propanoic acid
• InChIKey: JSJWCHRYRHKBBW-UHFFFAOYSA-N
• INCHI: 1S/C4H8N2O3/c5-4(9)6-2-1-3(7)8/h1-2H2,(H,7,8)(H3,5,6,9)
• Isómeros SMILES: C(CNC(=O)N)C(=O)O
• WGK Alemania: 3
• PubChem CID: 111
• Peso molecular: 132.12
• Beilstein: 1705260

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Organic carbonic acids and derivatives
      • Subclass Ureas

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Organic carbonic acids and derivatives
• Subclass: Ureas
• Intermediate Tree Nodes: Not available
• Direct Parent: Ureas
• Alternative Parents: Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Urea - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as ureas. These are compounds containing two amine groups joined by a carbonyl (C=O) functional group.
• External Descriptors: beta-alanine derivative

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in DMSO
• Peso molecular: 132.120 g/mol
• XLogP3: -1.500
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 132.053 Da
• Monoisotopic Mass: 132.053 Da
• Topological Polar Surface Area: 92.400 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 123.000
• 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

Preguntas frecuentes

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. 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 462-88-4, the molecular formula is C4H8N2O3, and the molecular weight is 132.12 g/mol. InChIKey JSJWCHRYRHKBBW-UHFFFAOYSA-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.