ALS-8112 - Moligand™,≥98% , CAS No.1445379-92-9

CAS: 1445379-92-9 Cat. No.: A648901 Formula: C₁₀H₁₃ClFN₃O₄ Peso molecolare: 293.68 PubChem CID: 71621663

QUALITÀ & PUREZZA Moligand™, ≥98%

Synonyms

4-amino-1-((2R,3R,4R,5R)-5-(chloromethyl)-3-fluoro-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyrimidin-2(1H)-one | Cytidine, 2'-deoxy-2'-fluoro-4'-c-alpha-chloromethyl- | HY-12983 | 1445379-92-9 | ALS-8176 (active form) | CYTIDINE, 2'-DEOXY-2'-FLUOR

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Panoramica

Bioactivity:ALS-8112 is a potent and selective respiratory syncytial virus (RSV) polymerase inhibitor. The 5'-triphosphate form of ALS-8112 inhibits RSV polymerase with an IC50 of 0.02 μM.

Specifiche

Sinonimi

4-amino-1-((2R,3R,4R,5R)-5-(chloromethyl)-3-fluoro-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyrimidin-2(1H)-one | Cytidine, 2'-deoxy-2'-fluoro-4'-c-alpha-chloromethyl- | HY-12983 | 1445379-92-9 | ALS-8176 (active form) | CYTIDINE, 2'-DEOXY-2'-FLUOR

Specifiche e purezza

Moligand™,≥98%

Condizioni di conservazione di stoccaggio

Protected from light,Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Grado

Moligand™

Tipo di azione

INHIBITOR

Purezza

≥98%

Nomi e identificatori

Sorrisi canonici

C1=CN(C(=O)N=C1N)C2C(C(C(O2)(CO)CCl)O)F

IUPAC Name

4-amino-1-[(2R,3R,4R,5R)-5-(chloromethyl)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one

InChIKey

AWSRKKBIPSQHOJ-IBCQBUCCSA-N

INCHI

1S/C10H13ClFN3O4/c11-3-10(4-16)7(17)6(12)8(19-10)15-2-1-5(13)14-9(15)18/h1-2,6-8,16-17H,3-4H2,(H2,13,14,18)/t6-,7+,8-,10-/m1/s1

Isomeri SMILES

C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@](O2)(CO)CCl)O)F

CAS alternativo

1445379-92-9

PubChem CID

71621663

Peso molecolare

293.68

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Nucleosides, nucleotides, and analogues
    • Classe 2',5'-dideoxyribonucleosides

• Kingdom: Organic compounds
• Superclass: Nucleosides, nucleotides, and analogues
• Classe: 2',5'-dideoxyribonucleosides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: 2',5'-dideoxyribonucleosides
• Alternative Parents: Aminopyrimidines and derivatives Pyrimidones Hydropyrimidines Imidolactams Heteroaromatic compounds Oxolanes Secondary alcohols Fluorohydrins Oxacyclic compounds Azacyclic compounds Organic oxides Primary alcohols Hydrocarbon derivatives Primary amines Alkyl fluorides Alkyl chlorides Organochlorides Organofluorides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2',5'-dideoxyribonucleoside - Aminopyrimidine - Pyrimidone - Hydropyrimidine - Pyrimidine - Imidolactam - Oxolane - Heteroaromatic compound - Fluorohydrin - Halohydrin - Secondary alcohol - Oxacycle - Organoheterocyclic compound - Azacycle - Hydrocarbon derivative - Primary alcohol - Organic oxide - Organooxygen compound - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Organic oxygen compound - Alkyl chloride - Alcohol - Organic nitrogen compound - Amine - Alkyl halide - Alkyl fluoride - Primary amine - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as 2',5'-dideoxyribonucleosides. These are nucleosides characterized by a purine or pyrimidine base, which is N-linked to a 2',5'-dideoxyribose 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

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: DMSO : ≥ 47 mg/mL (160.04 mM)
• Sensibilità: light sensitive
• Peso molecolare: 293.680 g/mol
• XLogP3: -1.200
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 293.058 Da
• Monoisotopic Mass: 293.058 Da
• Topological Polar Surface Area: 108.000 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 446.000
• 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