2-Chloroadenine - ≥98% , CAS No.1839-18-5

CAS: 1839-18-5 Cat. No.: C123433 Formula: C₅H₄ClN₅ Peso molecolare: 169.57 Numero EC: 606-011-2

GRADE & PURITY ≥98%

Synonyms

SQ 22982 | FT-0601064 | 2-chloro-7H-purin-6-amine | C2575 | AI3-52061 | BBL101268 | SY035219 | 2-chloradenin | 2-chloro-9H-purin-6-amine | CLADRIBINE IMPURITY C | 6-Amino-2-chloropurine | 6-AMINO-2-CHLORO-PURINE | 1H-Purin-6-amine, 2-chloro- | 9,12-Octade

Storage

Store at 2-8°C

Shipped In

Wet ice

Panoramica

2-Chloroadenine is a compound useful in organic synthesis used in the preparation of 8-oxadenine derivatives.

Specifications

Sinonimi

SQ 22982 | FT-0601064 | 2-chloro-7H-purin-6-amine | C2575 | AI3-52061 | BBL101268 | SY035219 | 2-chloradenin | 2-chloro-9H-purin-6-amine | CLADRIBINE IMPURITY C | 6-Amino-2-chloropurine | 6-AMINO-2-CHLORO-PURINE | 1H-Purin-6-amine, 2-chloro- | 9,12-Octade

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Store at 2-8°C

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥98%

Nomi e identificatori

• Pubchem Sid: 504756245
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504756245
• Sorrisi canonici: C1=NC2=NC(=NC(=C2N1)N)Cl
• IUPAC Name: 2-chloro-7H-purin-6-amine
• InChIKey: HBJGQJWNMZDFKL-UHFFFAOYSA-N
• INCHI: 1S/C5H4ClN5/c6-5-10-3(7)2-4(11-5)9-1-8-2/h1H,(H3,7,8,9,10,11)
• Isomeri SMILES: C1=NC2=NC(=NC(=C2N1)N)Cl
• WGK Germania: 3
• Peso molecolare: 169.57
• Reaxy-Rn: 9353
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9353&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Imidazopyrimidines
• Subclass: Purines and purine derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: 6-aminopurines
• Alternative Parents: Aminopyrimidines and derivatives 2-halopyrimidines Imidolactams Aryl chlorides Imidazoles Heteroaromatic compounds Azacyclic compounds Primary amines Organopnictogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 6-aminopurine - Aminopyrimidine - 2-halopyrimidine - Halopyrimidine - Aryl chloride - Aryl halide - Imidolactam - Pyrimidine - Heteroaromatic compound - Azole - Imidazole - Azacycle - Organochloride - Organonitrogen compound - Primary amine - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Amine - Organohalogen compound - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as 6-aminopurines. These are purines that carry an amino group at position 6. Purine is a bicyclic aromatic compound made up of a pyrimidine 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

Obiettivi associati (umani)

CDK1 Tchem Cyclin-dependent kinase 1 (3927 Activities)

Discover Target: CDK1

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Aqueous Base (Slightly), DMSO (Very Slightly, Heated, Sonicated)
• Punto di fusione (°C): 384-389°C
• Peso molecolare: 169.570 g/mol
• XLogP3: 0.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 169.016 Da
• Monoisotopic Mass: 169.016 Da
• Topological Polar Surface Area: 80.500 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 154.000
• 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

Riferimenti

1. Gaofei Liu, Xin Tong, Jialing Wang, Bin Wu, Jianlin Chu, Yongchan Jian, Bingfang He.  (2021)  Reshaping the binding pocket of purine nucleoside phosphorylase for improved production of 2-halogenated-2′-deoxyadenosines.  Catalysis Science & Technology,  11  (13): (4439-4446).  [PMID:] [10.1039/D0CY02424D]

2. Shirong Wang, Yu Zhang, Fan Yang, Fuxue Chen, Xingcheng Shao, Gaofei Liu, Bin Wu.  (2026)  Characterization of a Purine Nucleoside Phosphorylase From Colwellia sp. WH041 for Multienzyme Synthesis of Nucleoside Analogs.  CHEMBIOCHEM,  27  (14): (e70476).  [PMID:42496001] [10.1002/cbic.70476]

Domande frequenti

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1839-18-5, the molecular formula is C5H4ClN5, and the molecular weight is 169.57 g/mol. InChIKey HBJGQJWNMZDFKL-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.