ChemicalBook > CAS DataBase List > N-Benzoylaminopurine

N-Benzoylaminopurine

Product Name
N-Benzoylaminopurine
CAS No.
4005-49-6
Chemical Name
N-Benzoylaminopurine
Synonyms
N-BENZOYLADENINE;N6-BENZOYLADENINE;N6-BENZOYLAMINOPURINE;N-BZ-ADE;N4-Bz-adenine;N-(9H-Purin-6-yL;6-BENZAMIDOPURINE;N4-Benzoyl adenine;N-Benzolaminopurine;6-Benzoylaminopurin
CBNumber
CB7165920
Molecular Formula
C12H9N5O
Formula Weight
239.23
MOL File
4005-49-6.mol
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N-Benzoylaminopurine Property

Melting point:
242-244°C
Density 
1.494 g/cm3
storage temp. 
2-8°C
Water Solubility 
Insoluble in water
solubility 
DMSO (Slightly), Methanol (Slightly)
form 
powder to crystal
pka
11.98±0.20(Predicted)
color 
White to Almost white
BRN 
20585
InChI
InChI=1S/C12H9N5O/c18-12(8-4-2-1-3-5-8)17-11-9-10(14-6-13-9)15-7-16-11/h1-7H,(H2,13,14,15,16,17,18)
InChIKey
QQJXZVKXNSFHRI-UHFFFAOYSA-N
SMILES
C(NC1=C2C(=NC=N1)NC=N2)(=O)C1=CC=CC=C1
CAS DataBase Reference
4005-49-6(CAS DataBase Reference)
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Safety

Hazard Codes 
Xn,Xi
Risk Statements 
22-43
Safety Statements 
36/37
WGK Germany 
3
Hazard Note 
Irritant
HS Code 
29335990
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Hazard statements

H302Harmful if swallowed

H317May cause an allergic skin reaction

Precautionary statements

P202Do not handle until all safety precautions have been read and understood.

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P301+P312IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.

P302+P352IF ON SKIN: wash with plenty of soap and water.

P308+P313IF exposed or concerned: Get medical advice/attention.

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N-Bromosuccinimide Price

Sigma-Aldrich
Product number
B5258
Product name
N6-Benzoyladenine
Purity
≥99%
Packaging
5G
Price
$143.2
Updated
2024/03/01
Sigma-Aldrich
Product number
B5258
Product name
N6-Benzoyladenine
Purity
≥99%
Packaging
25G
Price
$864
Updated
2024/03/01
TCI Chemical
Product number
B3344
Product name
N6-Benzoyladenine
Purity
>98.0%(HPLC)(T)
Packaging
5g
Price
$117
Updated
2024/03/01
TCI Chemical
Product number
B3344
Product name
N6-Benzoyladenine
Purity
>98.0%(HPLC)(T)
Packaging
25g
Price
$257
Updated
2024/03/01
Alfa Aesar
Product number
L08292
Product name
N-Benzoylaminopurine, 99%
Packaging
1g
Price
$51.65
Updated
2024/03/01
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N-Benzoylaminopurine Chemical Properties,Usage,Production

Chemical Properties

White solid

Uses

N6-Benzoyladenine is used in the organic synthesis of adenine derivative molecules such as bicyclic adenine nucleoside via a condensation reaction between L-threo-pentofuranose derivative 1 and 6-N-benzoyladenine and to produce oxy-peptide nucleic acids.

Definition

ChEBI: 6-Benzamidopurine is a member of purines.

Biochem/physiol Actions

N6-Benzoyladenine comprises of adenine moiety and is a potent inhibitor of bromodomain-containing protein 4 (BRD4). N6-Benzoyladenine modulates tumor necrosis factor α (TNF-α) levels. It elicits cytotoxicity in liver and ileum cancer cells and may serve as a potential candidate agent for cancer chemotherapy.

Synthesis

Benzoyl chloride (1.3 mL, 11 mmol) was added dropwise over 30 min to a stirred suspension of adenine (1.35 g, 10 mmol) in dry pyridine, and stirring was continued at 100 °C for a further 3 h, and the reaction mixture was allowed to stand overnight at room temperature. The reaction was quenched with methanol and the solvents were removed under reduced pressure. The residue was triturated in hot isopropanol and dried in vacuo to give 8 as a white solid: yield 2.15 g (90%). MS (+ESI): m/z 240 [M+H]+; 1H NMR (400 MHz, d-DMSO): δ11.50 (s, 1H), 8.74 (s, 1H), 8.52 (s, 1H), 8.11 (d, 2H, J = 7.2 Hz), 7.66 (t, 1H, J = 7.2 Hz), 7.58 (t, 2H, J = 7.2 Hz).

N-Benzoylaminopurine Preparation Products And Raw materials

Raw materials

Preparation Products

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N-Benzoylaminopurine Suppliers

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View Lastest Price from N-Benzoylaminopurine manufacturers

Hebei Zhuanglai Chemical Trading Co Ltd
Product
N6-Benzoylaminopurine 4005-49-6
Price
US $10.00/kg
Min. Order
1kg
Purity
99%
Supply Ability
20 ton
Release date
2024-12-19
Henan Fengda Chemical Co., Ltd
Product
N6-Benzoylaminopurine 4005-49-6
Price
US $122.00-1.00/KG
Min. Order
1KG
Purity
99%
Supply Ability
g-kg-tons, free sample is available
Release date
2024-01-11
Career Henan Chemical Co
Product
N-(5H-Purin-6-yl)benzamide 4005-49-6
Price
US $2.00/KG
Min. Order
1KG
Purity
98%
Supply Ability
1ton
Release date
2018-08-15

4005-49-6, N-BenzoylaminopurineRelated Search:


  • 6-BENZOYLAMINOPURINE
  • 6-BENZAMIDOPURINE
  • N6-BENZOYLAMINOPURINE
  • N6-BENZOYLADENINE
  • N-BZ-ADE
  • N-BENZOYLADENINE
  • N-BENZOYLAMINOPURINE
  • N-Benzolaminopurine
  • N-Benzoylaminopurine,99%
  • N-(5H-Purin-6-yl)benzamide
  • Benzamide, N-1H-purin-6-yl-
  • 6-Benzoylaminopurin
  • N(sup 6)benzoyladenine
  • N-(1-purinyl)benzamide
  • N4-Benzoyl adenine
  • N6-Benzoyladenine, 98.0%(LC&T
  • N-(7H-purin-6-yl)benzamide
  • N6-Benzoyladenine&gt
  • N-(9H-Purin-6-yL
  • Benzamide, N-9H-purin-6-yl-
  • 6-benzoyl hydrazine
  • N-Benzoylaminopurine USP/EP/BP
  • N4-Bz-adenine
  • N<sup>6</sup>-Benzoyladenine
  • 4005-49-6
  • C12H9N5O
  • BioChemical
  • Biochemicals and Reagents
  • Nucleosides, Nucleotides, Oligonucleotides
  • Nucleoside Analogs
  • Purine
  • Biochemicals and Reagents
  • Nucleoside Analogs
  • Nucleosides, Nucleotides, Oligonucleotides
  • Biochemistry
  • Nucleobases and their analogs
  • Nucleosides, Nucleotides & Related Reagents