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4-bromo-1-(4-nitrobenzoyl)-3,4-dihydro-1H-benzo[b]azepin-5(2H)-one is a benzazepine derivative with a molecular formula of C18H13BrN2O4. It features a bromo substitution at position 4 and a nitrobenzoyl substitution at position 1, which may contribute to its potential pharmacological activity. This chemical compound is of interest in medicinal chemistry research and should be handled with care due to its potential hazardous properties.

169879-06-5

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169879-06-5 Usage

Uses

Used in Medicinal Chemistry Research:
4-bromo-1-(4-nitrobenzoyl)-3,4-dihydro-1H-benzo[b]azepin-5(2H)-one is used as a chemical intermediate for the synthesis of various pharmaceutical compounds. Its unique structure with bromo and nitrobenzoyl substitutions may offer specific binding affinities or interactions with biological targets, making it a valuable tool in the development of new drugs.
Used in Drug Design and Development:
In the pharmaceutical industry, 4-bromo-1-(4-nitrobenzoyl)-3,4-dihydro-1H-benzo[b]azepin-5(2H)-one is used as a lead compound for drug design. Its structural features can be further modified to optimize its pharmacological properties, such as potency, selectivity, and safety, which is crucial for the creation of effective therapeutic agents.

Check Digit Verification of cas no

The CAS Registry Mumber 169879-06-5 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,6,9,8,7 and 9 respectively; the second part has 2 digits, 0 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 169879-06:
(8*1)+(7*6)+(6*9)+(5*8)+(4*7)+(3*9)+(2*0)+(1*6)=205
205 % 10 = 5
So 169879-06-5 is a valid CAS Registry Number.

169879-06-5SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 4-Bromo-1-(4-nitrobenzoyl)-1,2,3,4-tetrahydro-5H-1-benzazepin-5-o ne

1.2 Other means of identification

Product number -
Other names -

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
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More Details:169879-06-5 SDS

169879-06-5Relevant academic research and scientific papers

Practical Synthesis of N-{4-[(2-Methyl-4,5-dihydroimidazo[4,5-d][1] benzazepin-6(1H)-yl)carbonyl]phenyl}biphenyl-2-carboxamide Monohydrochloride: An Arginine Vasopressin Antagonist

Tsunoda, Takashi,Yamazaki, Atsuki,Iwamoto, Hidenori,Sakamoto, Shuichi

, p. 883 - 887 (2013/09/05)

A novel, reliable, and cost-effective synthetic route to N-{4-[(2-methyl-4,5-dihydroimidazo[4,5-d][1]benzazepin-6(1H)-yl)carbonyl] -phenyl}biphenyl-2-carboxamide monohydrochloride (1, YM087), a potent Arginine vasopressin antagonist, has been developed. Using moisture-controlled potassium carbonate, imidazole formation from α-bromoketone furnished imidazobenzazepine, avoiding potential oxazole-ring formation. Catalytic reduction of nitro imidazobenzazepine afforded the corresponding amine in high yields. Treatment of the imidazole-containing amine directly, with a carbonyl chloride, afforded the target amide circumventing protection of the imidazole.

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