3-Ureidopropionic acid - 10mM in DMSO , CAS No.462-88-4

CAS: 462-88-4 Cat. No.: U424088 Molecular Weight: 132.12 Beilstein Registry Number: 1705260 EC Number: 820-838-8 PubChem CID: 111

GRADE & PURITY 10mM in DMSO

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 -80°C

Shipped In

Dry ice packs + Cold packs

Overview

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

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,

Specifications & Purity

10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

This product requires cold chain shipping. Ground and other economy services are not available.

Names and Identifiers

• Pubchem Sid: 528759286
• Canonical Smiles: 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)
• Isomeric SMILES: C(CNC(=O)N)C(=O)O
• WGK Germany: 3
• PubChem CID: 111
• Molecular Weight: 132.12
• Beilstein: 1705260

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: 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
• Description: 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

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 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