Sorivudine - ≥97% , CAS No.77181-69-2

CAS: 77181-69-2 Cat. No.: S357257 Peso molecular: 349.14 PubChem CID: 5282192

GRADE & PURITY ≥97%

Synonyms

DB11998 | SORIVUDINE [INN] | SQ-32756 | 1-.beta.-D-arabinofuranosyl-5-(2-bromovinyl)uracil | 1-beta-D-arabinofuranosyl-5-(2-bromovinyl)uracil | BVaraU | SQ 32,756 | BDBM50206491 | Brovavir | CDA18169 | DRU-0136 | SCHEMBL82640 | Sorivudina [INN-Spanish] |

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Sorivudine (BV-araU) has antiviral activity against several viruses including varicella zoster virus, herpes simplex type 1 virus, and Epstein-Barr virus by interfering with viral DNA synthesis.

Specifications

Sinónimos

DB11998 | SORIVUDINE [INN] | SQ-32756 | 1-.beta.-D-arabinofuranosyl-5-(2-bromovinyl)uracil | 1-beta-D-arabinofuranosyl-5-(2-bromovinyl)uracil | BVaraU | SQ 32, 756 | BDBM50206491 | Brovavir | CDA18169 | DRU-0136 | SCHEMBL82640 | Sorivudina [INN-Spanish] |

Especificaciones y pureza

≥97%

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.

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: C1=C(C(=O)NC(=O)N1C2C(C(C(O2)CO)O)O)C=CBr
• IUPAC Name: 5-[(E)-2-bromoethenyl]-1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
• InChIKey: GCQYYIHYQMVWLT-HQNLTJAPSA-N
• INCHI: 1S/C11H13BrN2O6/c12-2-1-5-3-14(11(19)13-9(5)18)10-8(17)7(16)6(4-15)20-10/h1-3,6-8,10,15-17H,4H2,(H,13,18,19)/b2-1+/t6-,7-,8+,10-/m1/s1
• Isómeros SMILES: C1=C(C(=O)NC(=O)N1[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O)/C=C/Br
• PubChem CID: 5282192
• Peso molecular: 349.14

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 Hydropyrimidines Vinylogous amides Heteroaromatic compounds Tetrahydrofurans Ureas Secondary alcohols Lactams Vinyl bromides Bromoalkenes Azacyclic compounds Oxacyclic compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives Organopnictogen compounds Primary alcohols
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyrimidine nucleoside - Glycosyl compound - N-glycosyl compound - Pentose monosaccharide - Pyrimidone - Hydropyrimidine - Monosaccharide - Pyrimidine - Heteroaromatic compound - Vinylogous amide - Tetrahydrofuran - Lactam - Secondary alcohol - Urea - Oxacycle - Azacycle - Bromoalkene - Haloalkene - Organoheterocyclic compound - Vinyl halide - Vinyl bromide - Alcohol - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Primary alcohol - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - 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

Objetivos asociados (humanos)

TK1 Tchem Thymidine kinase, cytosolic (627 Activities)

Discover Target: TK1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Homo sapiens (32628 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CCRF-HSB-2 (188 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

OST (42 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

WI-38 (2654 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

TK2 Tchem Thymidine kinase, mitochondrial (96 Activities)

Discover Target: TK2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Objetivos asociados (no humanos)

TK Thymidine kinase (276 Activities)

Discover Target: TK

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

dnk Deoxynucleoside kinase (95 Activities)

Discover Target: dnk

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Human alphaherpesvirus 2 (4932 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Human alphaherpesvirus 3 (4092 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Human betaherpesvirus 5 (5122 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Human alphaherpesvirus 1 (11089 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Peso molecular: 349.130 g/mol
• XLogP3: -0.900
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 347.996 Da
• Monoisotopic Mass: 347.996 Da
• Topological Polar Surface Area: 119.000 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 480.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 4
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1