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

CAS: 1445379-92-9 Cat. No.: A648901 Summenformel: C₁₀H₁₃ClFN₃O₄ Molekulargewicht: 293.68 PubChem CID: 71621663

QUALITÄT & REINHEIT 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

Übersicht

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.

Spezifikationen

Synonyme

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

Spezifikationen & Reinheit

Moligand™,≥98%

Storage

Protected from light,Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Note

Moligand™

Aktionsart

INHIBITOR

Reinheit

≥98%

Namen und Kennungen

Kanonisches Lächeln

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

Isomere SMILES

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

Alternative CAS-Nummer

1445379-92-9

PubChem CID

71621663

Molekulargewicht

293.68

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Nucleosides, nucleotides, and analogues
• Klasse: 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
• Beschreibung: 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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MT4 (17854 Activities)

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A549 (127892 Activities)

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HeLa (62764 Activities)

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POLRMT Tbio DNA-directed RNA polymerase, mitochondrial (57 Activities)

Discover Target: POLRMT

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POLG Tchem DNA polymerase subunit gamma-1/gamma-2 (16 Activities)

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Hdac6 Histone deacetylase 6 (222 Activities)

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Human respirovirus 3 (1674 Activities)

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Human orthopneumovirus (392 Activities)

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Rattus norvegicus (775804 Activities)

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Hepatitis C virus (23859 Activities)

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Influenza A virus (11224 Activities)

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Respiratory syncytial virus (3434 Activities)

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Syrian golden hamster (1610 Activities)

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Cynomolgus monkey (4946 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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Lung (9 Activities)

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: DMSO : ≥ 47 mg/mL (160.04 mM)
• Empfindlichkeit: light sensitive
• Molekulargewicht: 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