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 CE: 202-592-8

GRAU & 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

Visão geral

Synthesis of sulofenur analogs for use as antitumor agents.

Especificações

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

Especificações e pureza

≥98%

Mecanismos bioquímicos e 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.

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

504750363

Pubchem Sid Url

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

Sorrisos canónicos

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)

SMILES isoméricas

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

WGK Alemanha

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
    • Classe Azoles
      • Subclass Imidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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
• Descrição: 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

Alvos associados (humanos)

VDR Tclin Vitamin D receptor (26531 Activities)

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A498 (42825 Activities)

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CCRF-CEM (65223 Activities)

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COLO 205 (50209 Activities)

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K562 (73714 Activities)

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KM12 (47707 Activities)

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M14 (47487 Activities)

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MCF7 (126967 Activities)

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OVCAR-8 (47708 Activities)

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PC-3 (62116 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-MEL-5 (47095 Activities)

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SK-OV-3 (52876 Activities)

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SN12C (47755 Activities)

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SNB-19 (46794 Activities)

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TK-10 (45540 Activities)

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U-251 (51189 Activities)

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UACC-257 (46019 Activities)

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UACC-62 (47335 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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NCI/ADR-RES (33767 Activities)

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T47D (39041 Activities)

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NCI-H322M (45589 Activities)

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HCC 2998 (41480 Activities)

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HCT-116 (91556 Activities)

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HOP-92 (41141 Activities)

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NCI-H460 (60772 Activities)

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SF-268 (49410 Activities)

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IGROV-1 (47897 Activities)

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HOP-62 (47048 Activities)

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MDA-MB-435 (38290 Activities)

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MDA-N (28205 Activities)

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Alvos associados (não humanos)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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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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Acinetobacter baumannii (41033 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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RAW264.7 (28094 Activities)

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C6 (2371 Activities)

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Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Slightly soluble in water. Freely soluble in alkalis
• Sensibilidade: Moisture sensitive.
• Ponto de fusão (°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

Perguntas frequentes

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.