Besifovir - ≥96% , CAS No.441785-25-7

CAS: 441785-25-7 Cat. No.: B413603 Summenformel: C₁₀H₁₄N₅O₄P Molekulargewicht: 299.23

GRADE & PURITY ≥96%

Synonyms

s6729 | D96121 | [1-[(2-aminopurin-9-yl)methyl]cyclopropyl]oxymethylphosphonic acid | SCHEMBL2908200 | Besifovir | BESIFOVIR [WHO-DD] | HY-19447 | FT-0653031 | Q27260336 | Besifovir [INN] | KDNSSKPZBDNJDF-UHFFFAOYSA-N | [1-[(2-aminopurin-9-yl)methyl]cyclo

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

Information

Besifovir Besifovir is novel and potent acyclic nucleotide phosphonate used to treat hepatitis B virus (HBV) infection.

Specifications

Synonyme

s6729 | D96121 | [1-[(2-aminopurin-9-yl)methyl]cyclopropyl]oxymethylphosphonic acid | SCHEMBL2908200 | Besifovir | BESIFOVIR [WHO-DD] | HY-19447 | FT-0653031 | Q27260336 | Besifovir [INN] | KDNSSKPZBDNJDF-UHFFFAOYSA-N | [1-[(2-aminopurin-9-yl)methyl]cyclo

Spezifikationen & Reinheit

≥96%

Biochemische und physiologische Mechanismen

Besifovir is novel and potent acyclic nucleotide phosphonate used to treat hepatitis B virus (HBV) infection.

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

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

Aktionsart

INHIBITOR

Reinheit

≥96%

Namen und Kennungen

• Pubchem Sid: 504763285
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504763285
• Kanonisches Lächeln: C1CC1(CN2C=NC3=CN=C(N=C32)N)OCP(=O)(O)O
• IUPAC Name: [1-[(2-aminopurin-9-yl)methyl]cyclopropyl]oxymethylphosphonic acid
• InChIKey: KDNSSKPZBDNJDF-UHFFFAOYSA-N
• INCHI: 1S/C10H14N5O4P/c11-9-12-3-7-8(14-9)15(5-13-7)4-10(1-2-10)19-6-20(16,17)18/h3,5H,1-2,4,6H2,(H2,11,12,14)(H2,16,17,18)
• Isomere SMILES: C1CC1(CN2C=NC3=CN=C(N=C32)N)OCP(=O)(O)O
• Molekulargewicht: 299.23
• Reaxy-Rn: 9717556
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9717556&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Imidazopyrimidines
      • Subclass Purines and purine derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Imidazopyrimidines
• Subclass: Purines and purine derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Purines and purine derivatives
• Alternative Parents: Aminopyrimidines and derivatives N-substituted imidazoles Organic phosphonic acids Heteroaromatic compounds Azacyclic compounds Primary amines Organophosphorus compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Purine - Aminopyrimidine - N-substituted imidazole - Pyrimidine - Azole - Imidazole - Organophosphonic acid - Organophosphonic acid derivative - Heteroaromatic compound - Azacycle - Organophosphorus compound - Organooxygen compound - Organonitrogen compound - Amine - Organic oxygen compound - Primary amine - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as purines and purine derivatives. These are aromatic heterocyclic compounds containing a purine moiety, which is formed a pyrimidine-ring ring fused to an imidazole ring.
• 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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Homo sapiens (32628 Activities)

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HepG2 (196354 Activities)

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Liver (3974 Activities)

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Rattus norvegicus (775804 Activities)

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Plasma (328 Activities)

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Solubility (25°C) In vitro DMSO: 60 mg/mL (200.52 mM); Water: 60 mg/mL (200.52 mM); Ethanol: 2 mg/mL (6.68 mM)
• Molekulargewicht: 299.220 g/mol
• XLogP3: -1.800
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 5
• Exact Mass: 299.078 Da
• Monoisotopic Mass: 299.078 Da
• Topological Polar Surface Area: 136.000 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 414.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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