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

CAS: 84408-37-7 Cat. No.: D426197 分子式: C₈H₁₁N₅O₂ 分子量: 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

概要

Information

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

Specifications

同義語

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

仕様と純度

10mM in DMSO

保管条件

Store at -80°C

入荷

Dry ice packs + Cold packs

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

製品の性質

ALogP

-0.942

hba_count

4

HBD数

2

回転可能な結合

4

名前と識別子

パブケム・シド

528774471

カノニカル・スマイル

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)

異性体SMILES

C1=C2C(=NC(=N1)N)N(C=N2)COCCO

分子量

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
    • 分類 Imidazopyrimidines
      • Subclass Purines and purine derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: 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
• 説明: 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

作用メカニズム

化学的性質と物理的性質

• DMSO（mg / mL） 最大溶解度: 42
• DMSO（mM） 最大溶解度: 200.755222025716
• 水（mg / mL） 最大溶解度: 25
• 水（mM） 最大溶解度: 119.497155967688
• 分子量: 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