Allantoin - ≥98% , CAS No.97-59-6

CAS: 97-59-6 Cat. No.: A101660 Fórmula: C₄H₆N₄O₃ Peso molecular: 158.12 Beilstein Registry Number: 102364 Número EC: 202-592-8

CALIDAD & PUREZA ≥98%

Synonyms

UNII-344S277G0Z | 5-Ureidohydantoin | 5-ureido-Hydantoin | EINECS 202-592-8 | MFCD00005260 | BL Vital | Scar Gel | Allantoin Cream | BL Vital Skin | Scar Care | Glyoxylic(acid) diureide | CCRIS 1958 | Kenaf wet wipe | Sol Mouthwash | (2,5-dioxoimidazolidi

Storage

Room temperature

Shipped In

Normal

Descripción general

Synthesis of sulofenur analogs for use as antitumor agents.

Especificaciones

Sinónimos

UNII-344S277G0Z | 5-Ureidohydantoin | 5-ureido-Hydantoin | EINECS 202-592-8 | MFCD00005260 | BL Vital | Scar Gel | Allantoin Cream | BL Vital Skin | Scar Care | Glyoxylic(acid) diureide | CCRIS 1958 | Kenaf wet wipe | Sol Mouthwash | (2,5-dioxoimidazolidi

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

Purine metabolite via the uric acid pathway. Uric acid also reacts with free radicals to produce allantoin, thus allantoin may be a useful biomarker for oxidative stress.

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

Pubchem Sid

504750363

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504750363

Sonrisas canónicas

C1(C(=O)NC(=O)N1)NC(=O)N

IUPAC Name

(2,5-dioxoimidazolidin-4-yl)urea

InChIKey

POJWUDADGALRAB-UHFFFAOYSA-N

INCHI

1S/C4H6N4O3/c5-3(10)6-1-2(9)8-4(11)7-1/h1H,(H3,5,6,10)(H2,7,8,9,11)

Isómeros SMILES

C1(C(=O)NC(=O)N1)NC(=O)N

WGK Alemania

1

RTECS

YT1600000

Peso molecular

158.12

Beilstein

102364

Reaxy-Rn

83514

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=83514&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Azoles
      • Subclass Imidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Azoles
• Subclass: Imidazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Imidazoles
• Alternative Parents: Isoureas Propargyl-type 1,3-dipolar organic compounds Carboximidamides Azacyclic compounds Organopnictogen compounds Organooxygen compounds Imines Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Imidazole - Isourea - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Carboximidic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Imine - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as imidazoles. These are compounds containing an imidazole ring, which is an aromatic five-member ring with two nitrogen atoms at positions 1 and 3, and three carbon atoms.
• External Descriptors: a small molecule

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)

VDR Tclin Vitamin D receptor (26531 Activities)

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A498 (42825 Activities)

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RPMI-8226 (44974 Activities)

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RXF 393 (41971 Activities)

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SF-295 (48000 Activities)

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SK-MEL-2 (46422 Activities)

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SK-MEL-28 (48833 Activities)

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SK-OV-3 (52876 Activities)

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SNB-19 (46794 Activities)

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U-251 (51189 Activities)

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UO-31 (46270 Activities)

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786-0 (47912 Activities)

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A549 (127892 Activities)

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Objetivos asociados (no humanos)

Hdac6 Histone deacetylase 6 (222 Activities)

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Pseudomonas aeruginosa (123386 Activities)

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Klebsiella pneumoniae (43867 Activities)

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Staphylococcus aureus (210822 Activities)

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Escherichia coli (133304 Activities)

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Plasmodium falciparum (966862 Activities)

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Cryptococcus neoformans (21258 Activities)

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Candida albicans (78123 Activities)

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C6 (2371 Activities)

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Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Slightly soluble in water. Freely soluble in alkalis
• Sensibilidad: Moisture sensitive.
• Punto de fusión (°C): 238-240°C
• Peso molecular: 158.120 g/mol
• XLogP3: -2.200
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 158.044 Da
• Monoisotopic Mass: 158.044 Da
• Topological Polar Surface Area: 113.000 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

Preguntas frecuentes

How should this product be stored?

Store at room temperature.

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 is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 97-59-6, the molecular formula is C4H6N4O3, and the molecular weight is 158.12 g/mol. InChIKey POJWUDADGALRAB-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.