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

CAS: 1839-18-5 Cat. No.: C123433 Summenformel: C₅H₄ClN₅ Molekulargewicht: 169.57 EG-Nummer: 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

Lagerung bei 2-8°C

Shipped In

Nasses Eis

Übersicht

2-Chloradenin ist eine Verbindung, die in der organischen Synthese bei der Herstellung von 8-Oxadenin-Derivaten eingesetzt wird.

Specifications

Synonyme

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

Spezifikationen & Reinheit

≥98%

Storage

Lagerung bei 2-8°C

Verschickt in

Nasses Eis

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 504756245
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504756245
• Kanonisches Lächeln: 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)
• Isomere SMILES: C1=NC2=NC(=NC(=C2N1)N)Cl
• WGK Deutschland: 3
• Molekulargewicht: 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
    • Klasse Imidazopyrimidines
      • Subclass Purines and purine derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: 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
• Beschreibung: 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

Zugehörige Ziele (menschlich)

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Aqueous Base (Slightly), DMSO (Very Slightly, Heated, Sonicated)
• Schmelzpunkt (°C): 384-389°C
• Molekulargewicht: 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

Referenzen

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]

Häufig gestellte Fragen

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.