Isocytidine - Moligand™, ≥98% , CAS No.489-59-8

CAS: 489-59-8 Cat. No.: I340263 Peso molecular: 243.22 PubChem CID: 65031

GRADE & PURITY Moligand™, ≥98%

Synonyms

4(1H)-Pyrimidinone, 2-amino-1-beta-D-ribofuranosyl- | SCHEMBL2779073 | 1-(2-Amino-4-oxo-1(4H)-pyrimidinyl)-1-deoxy-beta-D-ribofuranose | MFCD25542467 | 2-Amino-1-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyrimidin-4(1H)-one | F127

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

2-Amino-1-β-D-ribofuranosyl-4(1H)-pyrimidinone is a purine nucleoside analogue. Purine nucleoside analogs have broad antitumor activity targeting indolent lymphoid malignancies. Anticancer mechanisms in this process rely on inhibition of DNA synthesis, induction of apoptosis, et.

Specifications

Sinónimos

4(1H)-Pyrimidinone, 2-amino-1-beta-D-ribofuranosyl- | SCHEMBL2779073 | 1-(2-Amino-4-oxo-1(4H)-pyrimidinyl)-1-deoxy-beta-D-ribofuranose | MFCD25542467 | 2-Amino-1-((2R, 3R, 4S, 5R)-3, 4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyrimidin-4(1H)-one | F127

Especificaciones y pureza

Moligand™, ≥98%

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Grado

Moligand™

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: C1=CN(C(=NC1=O)N)C2C(C(C(O2)CO)O)O
• IUPAC Name: 2-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-4-one
• InChIKey: RGNOTKMIMZMNRX-XVFCMESISA-N
• INCHI: 1S/C9H13N3O5/c10-9-11-5(14)1-2-12(9)8-7(16)6(15)4(3-13)17-8/h1-2,4,6-8,13,15-16H,3H2,(H2,10,11,14)/t4-,6-,7-,8-/m1/s1
• Isómeros SMILES: C1=CN(C(=NC1=O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
• PubChem CID: 65031
• Peso molecular: 243.22

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Nucleosides, nucleotides, and analogues
    • Clase Pyrimidine nucleosides

• Kingdom: Organic compounds
• Superclass: Nucleosides, nucleotides, and analogues
• Clase: Pyrimidine nucleosides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrimidine nucleosides
• Alternative Parents: Glycosylamines Pentoses Pyrimidones Aminopyrimidines and derivatives Hydropyrimidines Vinylogous amides Tetrahydrofurans Heteroaromatic compounds Secondary alcohols Azacyclic compounds Oxacyclic compounds Hydrocarbon derivatives Primary amines Primary alcohols Organopnictogen compounds Organic oxides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyrimidine nucleoside - Glycosyl compound - N-glycosyl compound - Pentose monosaccharide - Aminopyrimidine - Pyrimidone - Hydropyrimidine - Monosaccharide - Pyrimidine - Vinylogous amide - Tetrahydrofuran - Heteroaromatic compound - Secondary alcohol - Oxacycle - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Primary alcohol - Organic oxide - Organooxygen compound - Organonitrogen compound - Amine - Alcohol - Organopnictogen compound - Organic oxygen compound - Primary amine - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as pyrimidine nucleosides. These are compounds comprising a pyrimidine base attached to a ribosyl or deoxyribosyl moiety.
• 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

Propiedades químicas y físicas

• Peso molecular: 243.220 g/mol
• XLogP3: -2.100
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 243.086 Da
• Monoisotopic Mass: 243.086 Da
• Topological Polar Surface Area: 129.000 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 383.000
• 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