CAS NO.1839-18-5 2-Chloroadenine

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CAS NO.1839-18-5 2-Chloroadenine
Details
CAS: 1839-18-5
MF: C5H4ClN5
MW: 169.57
EINECS: 606-011-2
Appearance: Light yellow low solids
Storage : -20°C
Category
Other Intermediates
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Description

Description

 

2-Chloroadenine (CAS: 1839-18-5, Synonyms: (2-CHLOROADENINE;2-CHLORO-6-AMINOPURINE;6-Amino-2-chloro-7H-purine;Cladribine EP Impurity C;Regadenoson impurity H;2-Chlorophenthiazine;2-chloroadenine(2-cl-ade);CHLOROADENINE) is an important purine derivative with a chlorine atom at the 2-position and an amino group at the 6-position of the purine ring. This specific structure makes it a key building block for the preparation of modified nucleosides and nucleoside analogs in medicinal chemistry and biochemical synthesis. It is widely used in the design and synthesis of lead compounds for antiviral drugs (such as nucleoside reverse transcriptase inhibitors) and antitumor agents (e.g., purine analog chemotherapeutics), as well as in the development of bioactive molecules with immunomodulatory or enzyme inhibitory activity. The compound typically exists as a solid, is sensitive to moisture and light, and should be stored under cool, dry conditions.

 

◆Chemical Properties

 

Property

Value

Melting Point

>300°C (dec)

Boiling Point

279.76°C (rough estimate)

Density

1.4937 (rough estimate)

Refractive Index

1.6110 (estimate)

Storage Conditions

-20°C

Solubility

Slightly soluble in water; very slightly soluble in DMSO (requires heating and sonication)

Appearance

Solid

Acidity Coefficient (pKa)

7.17 ± 0.20 (Predicted)

Color

Light yellow

Water Solubility

8.3 mg/L (25°C)

Maximum Wavelength (λmax)

264 nm (lit.)

   
   
   
   

 

◆Applications

 

Sr. No.

Description

Application

1

Key intermediate for nucleoside & nucleotide synthesis

Antiviral & anticancer drug development (e.g., nucleoside reverse transcriptase inhibitors, purine analogs)

2

Building block for modified nucleosides

Design and synthesis of prodrugs & targeted therapeutics

3

Precursor for bioactive purine derivatives

Synthesis of enzyme inhibitors & immunomodulatory agents

4

Scaffold for medicinal chemistry optimization

Lead compound generation & structure-activity relationship (SAR) studies

5

Reagent for derivatization in drug analysis

HPLC/GC sample preparation & impurity profiling in pharmaceutical R&D

 

   
     
     
     
     
     

 

◆Product Specifications

2-Chloroadenine (CAS NO.1839-18-5) should be handled according to standard chemical industry and pharmaceutical intermediate safety procedures. Appropriate industrial hygiene and protective measures must be followed during handling, storage and operation.

  • Use appropriate personal protective equipment (PPE)
  • Avoid inhalation of vapor or mist and contact with skin, eyes and clothing
  • Handle in controlled, well-ventilated environments
  • Keep away from heat, sparks, open flames and hot surfaces
  • Protect from moisture and avoid contact with water
  • Follow chemical handling, storage and containment protocols
  • Refer to Safety Data Sheet (SDS) for detailed safety, handling and storage information

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