Jnj-39933673 , CAS No.1003005-29-5

CAS: 1003005-29-5 Cat. No.: J963085 Fórmula: C₂₄H₂₆FNO₅ Peso molecular: 427.500

Storage

Room temperature

Specifications

Condições de armazenamento de armazenamento

Room temperature

Tipo de ação

INHIBITOR

Nomes e identificadores

Sorrisos canónicos

C1CC1C2=CC=C(C=C2)CC3=CN(C4=C3C(=CC=C4)F)[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O

IUPAC Name

(2R,3R,4S,5S,6R)-2-[3-[(4-cyclopropylphenyl)methyl]-4-fluoroindol-1-yl]-6-(hydroxymethyl)oxane-3,4,5-triol

InChIKey

PXRGAWZIQZMHTH-PFKOEMKTSA-N

INCHI

1S/C24H26FNO5/c25-17-2-1-3-18-20(17)16(10-13-4-6-14(7-5-13)15-8-9-15)11-26(18)24-23(30)22(29)21(28)19(12-27)31-24/h1-7,11,15,19,21-24,27-30H,8-10,12H2/t19-,21-,22+,23-,24-/m1/s1

Peso molecular

427.500

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Nucleosides, nucleotides, and analogues
    • Classe Nucleoside and nucleotide analogues
      • Subclass 1-pyranosylindoles

• Kingdom: Organic compounds
• Superclass: Nucleosides, nucleotides, and analogues
• Classe: Nucleoside and nucleotide analogues
• Subclass: 1-pyranosylindoles
• Intermediate Tree Nodes: Not available
• Direct Parent: 1-pyranosylindoles
• Alternative Parents: Hexoses Glycosylamines 3-alkylindoles N-alkylindoles Oxanes Aryl fluorides Substituted pyrroles Benzene and substituted derivatives Heteroaromatic compounds Secondary alcohols Oxacyclic compounds Azacyclic compounds Polyols Organonitrogen compounds Organofluorides Hydrocarbon derivatives Primary alcohols
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 1-pyranosylindole - Hexose monosaccharide - Glycosyl compound - N-glycosyl compound - N-alkylindole - 3-alkylindole - Indole or derivatives - Indole - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Monosaccharide - Benzenoid - Substituted pyrrole - Oxane - Heteroaromatic compound - Pyrrole - Secondary alcohol - Oxacycle - Azacycle - Organoheterocyclic compound - Polyol - Organic oxygen compound - Primary alcohol - Organic nitrogen compound - Alcohol - Hydrocarbon derivative - Organooxygen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as 1-pyranosylindoles. These are nucleoside and nucleotide analogs with a structure that consists of an indole base which is N-substituted at the 1-position with a pyranose moiety. Nucleotide analogues contain a phosphate group linked to the C5 carbon atom of the pyranose.
• 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

Propriedades químicas e físicas

• Peso molecular: 427.500 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 427.18 Da
• Monoisotopic Mass: 427.18 Da
• Topological Polar Surface Area: 95.100 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 613.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 5
• 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 are the CAS number, molecular formula and molecular weight?

The CAS Number is 1003005-29-5, the molecular formula is C24H26FNO5, and the molecular weight is 427.500 g/mol. InChIKey PXRGAWZIQZMHTH-PFKOEMKTSA-N.

How should this product be stored?

Store at room temperature.

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.