6-Bromopurine - ≥98% , CAS No.767-69-1

CAS: 767-69-1 Cat. No.: B124647 Summenformel: C₅H₃BrN₄ Molekulargewicht: 199.01 EG-Nummer: 212-187-8

GRADE & PURITY ≥98%

Synonyms

AKOS003398781 | A9730 | 6-bromo-9H-purine | 6-Bromopurine | BP1 | SY012323 | AB21718 | Purine, 6-bromo- | SCHEMBL13014 | 6-Bromo purine | NSC-45150 | FT-0632919 | rabectedin | AC-23871 | CCG-321434 | MFCD00022648 | 6-Bromo-1H-purine | Q27458499 | 6-Bromop

Storage

Lagerung bei 2-8°C, Argon geladen

Shipped In

Nasses Eis

Übersicht

Anwendung

6-Brompurin ist ein bromiertes Derivat von Purin, das in verschiedenen organischen Synthesen verwendet wird. Es wird für die Synthese mehrerer benzoanellierter Gerüste mit Purin- oder Pyrimidinmolekülen verwendet, die antitumorale und krebshemmende Eigenschaften aufweisen.

Specifications

Synonyme

AKOS003398781 | A9730 | 6-bromo-9H-purine | 6-Bromopurine | BP1 | SY012323 | AB21718 | Purine, 6-bromo- | SCHEMBL13014 | 6-Bromo purine | NSC-45150 | FT-0632919 | rabectedin | AC-23871 | CCG-321434 | MFCD00022648 | 6-Bromo-1H-purine | Q27458499 | 6-Bromop

Spezifikationen & Reinheit

≥98%

Storage

Lagerung bei 2-8°C, Argon geladen

Verschickt in

Nasses Eis

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 504763509
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504763509
• Kanonisches Lächeln: C1=NC2=C(N1)C(=NC=N2)Br
• IUPAC Name: 6-bromo-7H-purine
• InChIKey: CTGFGRDVWBZYNB-UHFFFAOYSA-N
• INCHI: 1S/C5H3BrN4/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H,7,8,9,10)
• Isomere SMILES: C1=NC2=C(N1)C(=NC=N2)Br
• WGK Deutschland: 3
• RTECS: UO7513000
• Molekulargewicht: 199.01
• Reaxy-Rn: 5775
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5775&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: Purines and purine derivatives
• Alternative Parents: Halopyrimidines Aryl bromides Imidazoles Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Purine - Halopyrimidine - Pyrimidine - Aryl halide - Aryl bromide - Heteroaromatic compound - Imidazole - Azole - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Organohalogen compound - Aromatic heteropolycyclic compound
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Löslichkeit: DMSO (Slightly), Methanol (Slightly)
• Schmelzpunkt (°C): >300°C
• Molekulargewicht: 199.010 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 197.954 Da
• Monoisotopic Mass: 197.954 Da
• Topological Polar Surface Area: 54.500 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 131.000
• 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. Yu Sun, Guanghua Lu, Peng Zhang, Ying Wang, Xin Ling, Qi Xue, Zhenhua Yan, Jianchao Liu.  (2022)  Natural colloids at environmentally relevant concentrations affect the absorption and removal of benzophenone-3 in zebrafish.  ENVIRONMENTAL POLLUTION,      [PMID:35948112] [10.1016/j.envpol.2022.119860]

2. Ping He, Qian Zheng, Matin Naghizadeh, Guiqi Huang, Sheying Dong.  (2024)  Efficient and recycled magnetic self-stirring hollow fiber-solid/liquid phase system: An extraction and removal technique for personal care pollutants.  JOURNAL OF MOLECULAR LIQUIDS,      [PMID:] [10.1016/j.molliq.2024.124002]

3. Yu-Jia Lin, Hong-Mei Li, Yan-Rong Gao, Ping-Fan Wu, Bin Cheng, Chen-Long Yu, Yu-Xin Sheng, Hai-Ming Xu.  (2024)  Environmentally relevant concentrations of benzophenones exposure disrupt intestinal homeostasis, impair the intestinal barrier, and induce inflammation in mice.  ENVIRONMENTAL POLLUTION,      [PMID:38614423] [10.1016/j.envpol.2024.123948]

Häufig gestellte Fragen

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 under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

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

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

The CAS Number is 767-69-1, the molecular formula is C5H3BrN4, and the molecular weight is 199.01 g/mol. InChIKey CTGFGRDVWBZYNB-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.