328546-66-3 | 9-Amino-3,4-dihydro-1H-benzo[e][1,4]diazepin-5(2H)-one

Packsize	Purity	Availability	Price	Discounted Price
100mg	95%	in stock	$200.00	$140.00
250mg	95%	in stock	$348.00	$243.00

Description

• Catalog Number: AB51204
• Chemical Name: 9-Amino-3,4-dihydro-1H-benzo[e][1,4]diazepin-5(2H)-one
• CAS Number: 328546-66-3
• Molecular Formula: C9H11N3O
• Molecular Weight: 177.2031
• MDL Number: MFCD03265458
• SMILES: O=C1NCCNc2c1cccc2N

Computed Properties

• Complexity: 207
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 13
• Hydrogen Bond Acceptor Count: 3
• Hydrogen Bond Donor Count: 3
• XLogP3: 0.3

Upstream Synthesis Route

9-Amino-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one is a versatile compound widely used in chemical synthesis as a key building block. With its unique structure and reactivity, this compound plays a crucial role in the creation of various complex organic molecules through both medicinal and material chemistry applications. Its amino group can be readily modified through various chemical reactions, allowing for the introduction of new functional groups and enabling the synthesis of diverse chemical compounds. This compound is particularly valuable in the pharmaceutical industry for the development of novel drugs and therapeutics, where its presence in the molecular framework can confer specific biological activities and interactions. Additionally, 9-Amino-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one is utilized in the synthesis of advanced materials, including polymers, dyes, and fine chemicals, due to its ability to serve as a key intermediate in complex molecular structures. Its significance in chemical synthesis lies in its ability to facilitate the creation of intricate molecules with tailored properties and functions, making it an essential component in the toolbox of synthetic chemists.

Literature

• Design and synthesis of poly(ADP-ribose) polymerase-1 (PARP-1) inhibitors. Part 4: biological evaluation of imidazobenzodiazepines as potent PARP-1 inhibitors for treatment of ischemic injuries.

  Bioorganic & medicinal chemistry 20030815