Niceritrol - ≥95% , CAS No.5868-05-3

CAS: 5868-05-3 Cat. No.: N159653 Fórmula: C₂₉H₂₄N₄O₈ Peso molecular: 556.5

GRADE & PURITY ≥95%

Synonyms

Perycit | NICERITROL [MART.] | Pentaerythritoltetranicotinate | Niceritrolum [INN-Latin] | NICERITROL [JAN] | Niceritrolum | Q824174 | Cardiolipol | CAS-5868-05-3 | Niceritrol (JP17/INN) | Niceritrol [INN:BAN:DCF:JAN] | D01754 | MFCD00215982 | BRN 0377170

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

Perycit | NICERITROL [MART.] | Pentaerythritoltetranicotinate | Niceritrolum [INN-Latin] | NICERITROL [JAN] | Niceritrolum | Q824174 | Cardiolipol | CAS-5868-05-3 | Niceritrol (JP17/INN) | Niceritrol [INN:BAN:DCF:JAN] | D01754 | MFCD00215982 | BRN 0377170

Especificações e pureza

≥95%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥95%

Nomes e identificadores

• Pubchem Sid: 488179835
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488179835
• Sorrisos canónicos: C1=CC(=CN=C1)C(=O)OCC(COC(=O)C2=CN=CC=C2)(COC(=O)C3=CN=CC=C3)COC(=O)C4=CN=CC=C4
• IUPAC Name: [3-(pyridine-3-carbonyloxy)-2,2-bis(pyridine-3-carbonyloxymethyl)propyl] pyridine-3-carboxylate
• InChIKey: KUEUWHJGRZKESU-UHFFFAOYSA-N
• INCHI: 1S/C29H24N4O8/c34-25(21-5-1-9-30-13-21)38-17-29(18-39-26(35)22-6-2-10-31-14-22,19-40-27(36)23-7-3-11-32-15-23)20-41-28(37)24-8-4-12-33-16-24/h1-16H,17-20H2
• SMILES isoméricas: C1=CC(=CN=C1)C(=O)OCC(COC(=O)C2=CN=CC=C2)(COC(=O)C3=CN=CC=C3)COC(=O)C4=CN=CC=C4
• Peso molecular: 556.5
• Reaxy-Rn: 377170
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=377170&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Tetracarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Tetracarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Tetracarboxylic acids and derivatives
• Alternative Parents: Pyridinecarboxylic acids Heteroaromatic compounds Carboxylic acid esters Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Tetracarboxylic acid or derivatives - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Pyridine - Heteroaromatic compound - Carboxylic acid ester - Organoheterocyclic compound - Azacycle - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as tetracarboxylic acids and derivatives. These are carboxylic acids containing exactly four carboxyl groups.
• External Descriptors: Not available

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 (não humanos)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Mecanismos de ação

Propriedades químicas e físicas

• Ponto de fusão (°C): 165 °C
• Peso molecular: 556.500 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 16
• Exact Mass: 556.159 Da
• Monoisotopic Mass: 556.159 Da
• Topological Polar Surface Area: 157.000 Ų
• Heavy Atom Count: 41
• Formal Charge: 0
• Complexity: 745.000
• 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

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

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 5868-05-3, the molecular formula is C29H24N4O8, and the molecular weight is 556.5 g/mol. InChIKey KUEUWHJGRZKESU-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.