Dihydro-DL-orotic acid - ≥98% , CAS No.6202-10-4

CAS: 6202-10-4 Cat. No.: D331120 Peso molecular: 158.1 Número EC: 622-692-9

GRADE & PURITY ≥98%

Synonyms

DL-Dihydroorotic acid | 2,6-dioxo-1,3-diazinane-4-carboxylic acid | Dihydroorotic acid | 4-pyrimidinecarboxylic acid, hexahydro-2,6-dioxo- | 2,6-dioxohexahydropyrimidine-4-carboxylic acid | 4,5-dihydroorotic acid | dihydroorotate | hydroorotic acid | 5,6-

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

DL-Dihydroorotic acid | 2, 6-dioxo-1, 3-diazinane-4-carboxylic acid | Dihydroorotic acid | 4-pyrimidinecarboxylic acid, hexahydro-2, 6-dioxo- | 2, 6-dioxohexahydropyrimidine-4-carboxylic acid | 4, 5-dihydroorotic acid | dihydroorotate | hydroorotic acid | 5, 6-

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at -20°C, Argon charged

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%

Nombres e identificadores

• Sonrisas canónicas: C1C(NC(=O)NC1=O)C(=O)O
• IUPAC Name: 2,6-dioxo-1,3-diazinane-4-carboxylic acid
• InChIKey: UFIVEPVSAGBUSI-UHFFFAOYSA-N
• INCHI: 1S/C5H6N2O4/c8-3-1-2(4(9)10)6-5(11)7-3/h2H,1H2,(H,9,10)(H2,6,7,8,11)
• Isómeros SMILES: C1C(NC(=O)NC1=O)C(=O)O
• CAS alternativo: 155-54-4
• Peso molecular: 158.1
• Reaxy-Rn: 83959
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=83959&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives
• Direct Parent: Alpha amino acids and derivatives
• Alternative Parents: Pyrimidones N-acyl ureas Diazinanes Dicarboximides Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Alpha-amino acid or derivatives - N-acyl urea - Pyrimidone - Ureide - 1,3-diazinane - Pyrimidine - Dicarboximide - Urea - Carbonic acid derivative - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
• External Descriptors: monocarboxylic acid - N-acylurea - secondary amide - pyrimidinemonocarboxylic acid

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 (humanos)

DHODH Tclin Dihydroorotate dehydrogenase (2737 Activities)

Discover Target: DHODH

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

CAD Tchem Dihydroorotase (27 Activities)

Discover Target: CAD

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Dimethylformamide (50 mg/ml)
• Peso molecular: 158.110 g/mol
• XLogP3: -1.500
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 158.033 Da
• Monoisotopic Mass: 158.033 Da
• Topological Polar Surface Area: 95.500 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 225.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1