Desciclovir - 10mM in DMSO , CAS No.84408-37-7

CAS: 84408-37-7 Cat. No.: D426197 Peso molecular: 209.21

GRADE & PURITY 10mM in DMSO

Synonyms

A-515U | EX-A4532 | Q27274669 | 9-(2-hydroxyethoxymethyl)-2-amino-9H-purine | Desiclovir | DESCICLOVIR [MART.] | DESCICLOVIR [INN] | BW-A515U | BW-A-515-U | D03690 | Desciclovir (USAN/INN) | DESCICLOVIR | 2-amino-9-(2-hydroxyethoxymethyl)purine | BHM1XXA2

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Descripción general

Information

Desciclovir (DCV, 6-Deoxyacyclovir, BW A515U) is a prodrug of theantiherpeticagent acyclovir (ACV) that converted into ACV by xanthine oxidase in humans.

Specifications

Sinónimos

A-515U | EX-A4532 | Q27274669 | 9-(2-hydroxyethoxymethyl)-2-amino-9H-purine | Desiclovir | DESCICLOVIR [MART.] | DESCICLOVIR [INN] | BW-A515U | BW-A-515-U | D03690 | Desciclovir (USAN/INN) | DESCICLOVIR | 2-amino-9-(2-hydroxyethoxymethyl)purine | BHM1XXA2

Especificaciones y pureza

10mM in DMSO

Condiciones de almacenamiento de almacenamiento

Store at -80°C

Enviado en

Dry ice packs + Cold packs

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

Propiedades del producto

• ALogP: -0.942
• hba_count: 4
• Recuento HBD: 2
• Enlace rotable: 4

Nombres e identificadores

• Sonrisas canónicas: C1=C2C(=NC(=N1)N)N(C=N2)COCCO
• IUPAC Name: 2-[(2-aminopurin-9-yl)methoxy]ethanol
• InChIKey: OKQHSIGMOWQUIK-UHFFFAOYSA-N
• INCHI: 1S/C8H11N5O2/c9-8-10-3-6-7(12-8)13(4-11-6)5-15-2-1-14/h3-4,14H,1-2,5H2,(H2,9,10,12)
• Isómeros SMILES: C1=C2C(=NC(=N1)N)N(C=N2)COCCO
• Peso molecular: 209.21
• Reaxy-Rn: 3614015
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3614015&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: 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 Heteroaromatic compounds Azacyclic compounds Primary amines Primary alcohols Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Purine - Aminopyrimidine - N-substituted imidazole - Pyrimidine - Azole - Imidazole - Heteroaromatic compound - Azacycle - Primary amine - Primary alcohol - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Alcohol - Aromatic heteropolycyclic compound
• Descripción: 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

Mecanismos de acción

Propiedades químicas y físicas

• DMSO (mg/ml) Solubilidad máxima: 42
• DMSO (mM) Solubilidad máxima: 200.755222025716
• Agua (mg/ml) Solubilidad máxima: 25
• Agua (mM) Solubilidad máxima: 119.497155967688
• Peso molecular: 209.210 g/mol
• XLogP3: -1.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 209.091 Da
• Monoisotopic Mass: 209.091 Da
• Topological Polar Surface Area: 99.100 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 205.000
• 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