Cedazuridine - Moligand™, ≥98% , Cytidine deaminase inhibitor, CAS No.1141397-80-9, Cytidine deaminase inhibitor

CAS: 1141397-80-9 Cat. No.: C608440 Formule: C₉H₁₄F₂N₂O₅ Poids moléculaire: 268.21 Numéro CE: 822-329-6 PubChem CID: 25267009

GRADE & PURITY Moligand™, ≥98%

Synonyms

UNII-39IS23Q1EW | InChI=1/C2HCl3O/c3-1(4)2(5)6/h1H | Uridine, 2'-deoxy-2',2'-difluoro-3,4,5,6-tetrahydro-, (4R)- | AT22227 | CEDAZURIDINE [WHO-DD] | 1141397-80-9 | EX-A5549 | SCHEMBL172256 | 39IS23Q1EW | EN300-22818041 | (4R)-1-[(2R,4R,5R)-3,3-difluoro-4-

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonymes

UNII-39IS23Q1EW | InChI=1/C2HCl3O/c3-1(4)2(5)6/h1H | Uridine, 2'-deoxy-2',2'-difluoro-3,4,5,6-tetrahydro-, (4R)- | AT22227 | CEDAZURIDINE [WHO-DD] | 1141397-80-9 | EX-A5549 | SCHEMBL172256 | 39IS23Q1EW | EN300-22818041 | (4R)-1-[(2R,4R,5R)-3,3-difluoro-4-

Spécifications et pureté

Moligand™, ≥98%

Conditions de stockage de stockage

Protected from light,Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Grade

Moligand™

Type d'action

INHIBITOR

Mécanisme d'action

Cytidine deaminase inhibitor

Pureté

≥98%

Propriétés du produit

• ALogP: -1.1

Noms et identifiants

• Pubchem Sid: 528763889
• Sourires canoniques: OC[C@H]1O[C@H](C([C@@H]1O)(F)F)N1CC[C@H](NC1=O)O
• IUPAC Name: (4R)-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-1,3-diazinan-2-one
• InChIKey: VUDZSIYXZUYWSC-DBRKOABJSA-N
• INCHI: 1S/C9H14F2N2O5/c10-9(11)6(16)4(3-14)18-7(9)13-2-1-5(15)12-8(13)17/h4-7,14-16H,1-3H2,(H,12,17)/t4-,5-,6-,7-/m1/s1
• Isomères SMILES: C1CN(C(=O)N[C@@H]1O)[C@H]2C([C@@H]([C@H](O2)CO)O)(F)F
• PubChem CID: 25267009
• Poids moléculaire: 268.21

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates
        • Level5 Monosaccharides
          • Level6 Pentoses

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Monosaccharides
• Direct Parent: Pentoses
• Alternative Parents: Pyrimidones Diazinanes Tetrahydrofurans Secondary alcohols Ureas Fluorohydrins Oxacyclic compounds Alkanolamines Azacyclic compounds Primary alcohols Organopnictogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Pentose monosaccharide - Pyrimidone - 1,3-diazinane - Pyrimidine - Tetrahydrofuran - Urea - Secondary alcohol - Fluorohydrin - Halohydrin - Carbonic acid derivative - Oxacycle - Azacycle - Organoheterocyclic compound - Alkanolamine - Organic oxide - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic nitrogen compound - Primary alcohol - Alcohol - Carbonyl group - Alkyl halide - Alkyl fluoride - Organopnictogen compound - Hydrocarbon derivative - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as pentoses. These are monosaccharides in which the carbohydrate moiety contains five carbon atoms.
• 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

Cibles associées (humaines)

CDA Tclin Cytidine deaminase (1 Activities)

Discover Target: CDA

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Mécanismes d'action

Propriétés chimiques et physiques

• Sensibilité: Light sensitive
• Poids moléculaire: 268.210 g/mol
• XLogP3: -1.100
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 268.087 Da
• Monoisotopic Mass: 268.087 Da
• Topological Polar Surface Area: 102.000 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 343.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 4
• 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