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N-Benzoylaminopurine

N-Benzoylaminopurine Structure
CAS No.
4005-49-6
Chemical Name:
N-Benzoylaminopurine
Synonyms
N-BENZOYLADENINE;N6-BENZOYLADENINE;N6-BENZOYLAMINOPURINE;N-BZ-ADE;N-(9H-Purin-6-yL;6-BENZAMIDOPURINE;N4-Benzoyl adenine;6-Benzoylaminopurin;N-Benzolaminopurine;6-benzoyl hydrazine
CBNumber:
CB7165920
Molecular Formula:
C12H9N5O
Molecular Weight:
239.23
MOL File:
4005-49-6.mol
MSDS File:
SDS
Modify Date:
2023/5/15 10:43:21

N-Benzoylaminopurine Properties

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)

SAFETY

Risk and Safety Statements

Symbol(GHS) 
GHS07,GHS08
Signal word  Warning
Hazard statements  H302-H317-H361d
Precautionary statements  P202-P261-P280-P301+P312-P302+P352-P308+P313
Hazard Codes  Xn,Xi
Risk Statements  22-43
Safety Statements  36/37
WGK Germany  3
Hazard Note  Irritant
HS Code  29335990
NFPA 704
1
2 0

N-Benzoylaminopurine price More Price(5)

Manufacturer Product number Product description CAS number Packaging Price Updated Buy
TCI Chemicals (India) B3344 N6-Benzoyladenine 4005-49-6 5G ₹9700 2022-05-26 Buy
ALFA India ALF-L08292-14 N-Benzoylaminopurine, 99% 4005-49-6 25g ₹35259 2022-05-26 Buy
ALFA India ALF-L08292-06 N-Benzoylaminopurine, 99% 4005-49-6 5g ₹14310 2022-05-26 Buy
TCI Chemicals (India) B3344 N6-Benzoyladenine 4005-49-6 25G ₹20600 2022-05-26 Buy
ALFA India ALF-L08292-03 N-Benzoylaminopurine, 99% 4005-49-6 1g ₹5831 2022-05-26 Buy
Product number Packaging Price Buy
B3344 5G ₹9700 Buy
ALF-L08292-14 25g ₹35259 Buy
ALF-L08292-06 5g ₹14310 Buy
B3344 25G ₹20600 Buy
ALF-L08292-03 1g ₹5831 Buy

N-Benzoylaminopurine Chemical Properties,Uses,Production

Chemical Properties

White solid

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 synthesis.jpg

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N-Benzoylaminopurine Spectrum

6-BENZOYLAMINOPURINE 6-BENZAMIDOPURINE N-BZ-ADE 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 N4-Benzoyl adenine N6-Benzoyladenine, 98.0%(LC&T N-(7H-purin-6-yl)benzamide N-(1-purinyl)benzamide N6-Benzoyladenine> N-(9H-Purin-6-yL Benzamide, N-9H-purin-6-yl- 6-benzoyl hydrazine N-Benzoylaminopurine USP/EP/BP N6-BENZOYLADENINE N-BENZOYLADENINE N6-BENZOYLAMINOPURINE 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