28544-83-4

Basic information

• Product Name: 1,2,3,4-tetrahydrobenzo(e)(1,4)diazepin-5-one
• Synonyms: 1,2,3,4-tetrahydrobenzo(e)(1,4)diazepin-5-one;1,2,3,4-tetrahydro-5H-1,4-Benzodiazepin-5-one;3,4-dihydro-1H-benzo[e][1,4]diazepin-5(2H)-one
• CAS NO: 28544-83-4
• Molecular Formula: C₉H₁₀N₂O
• Molecular Weight: 162.19
• Mol File: 28544-83-4.mol
• Article Data: 4

Chemical Properties

• Melting Point: 143-145 °C
• Boiling Point: 376.1 °C at 760 mmHg
• Flash Point: 178.7 °C
• Appearance: /
• Density: 1.137 g/cm³
• Storage Temp.: 2-8°C(protect from light)
• PKA: 14.00±0.20(Predicted)
• CAS DataBase Reference: 1,2,3,4-tetrahydrobenzo(e)(1,4)diazepin-5-one(CAS DataBase Reference)
• NIST Chemistry Reference: 1,2,3,4-tetrahydrobenzo(e)(1,4)diazepin-5-one(28544-83-4)
• EPA Substance Registry System: 1,2,3,4-tetrahydrobenzo(e)(1,4)diazepin-5-one(28544-83-4)

Safety Data

• Hazardous Substances Data: 28544-83-4(Hazardous Substances Data)

Usage

General Description

1,2,3,4-tetrahydrobenzo(e)(1,4)diazepin-5-one is a chemical compound with a molecular formula C11H11NOS. It is a heterocyclic compound that contains a benzene ring fused to a five-membered diazepine ring. 1,2,3,4-tetrahydrobenzo(e)(1,4)diazepin-5-one has been studied for its potential pharmacological properties, including its use as a central nervous system depressant and anxiolytic. It has also been evaluated for its potential role in the treatment of certain psychiatric and neurological disorders. Additionally, 1,2,3,4-tetrahydrobenzo(e)(1,4)diazepin-5-one has been investigated as a precursor in the synthesis of various pharmaceuticals and organic compounds. Overall, this compound has attracted attention for its diverse potential applications in the fields of medicine and organic chemistry.

Upstream product

• 107468-22-4 5-Methoxy-2,3-dihydro-1H-benzo[e][1,4]diazepine 
• 4295-36-7 2,3-dihydroquinolin-4(1H)-one 
• 5118-94-5 1,4-benzodiazepine-2,5-dione 
• 32112-94-0 4-quinolyl azide 
• 107468-21-3 5-methoxy-3H-1,4-benzodiazepine 
• 107468-20-2 5-Methoxy-1H-benzo[e][1,4]diazepine 
• 610-96-8 methyl chlorobenzoate 
• 107-15-3 ethylenediamine 

Downstream Products

• 5946-39-4 2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepine 
• 710349-65-8 1-allyl-5-[4-(2-methoxyphenyl)piperazin-1-yl]-2,3-dihydro-1H-1,4-benzodiazepine 
• 710349-64-7 1-allyl-5-[4-(4-fluorophenyl)piperazin-1-yl]-2,3-dihydro-1H-1,4-benzodiazepine 
• 1363400-78-5 1-(2-methoxypentadecylbenzyl)-3,4-dihydro-1H-benzo[e][1,4]diazepin-5(2H)-one 

Relevant articles and documents

Pharmaceutical composition for treating periodontitis and preparation method of pharmaceutical composition

The invention discloses pharmaceutical composition for treating periodontitis. The pharmaceutical composition can take a compound containing a structure shown in a formula or derivatives of the compound as an effective component. The invention also discloses a preparation method of the pharmaceutical composition for treating the periodontitis. The pharmaceutical composition can stop progress of the course of the disease, promote regeneration and recovery of alveolar bone and keep the chewing function of a patient.

Effect of ring size or an additional heteroatom on the potency and selectivity of bicyclic benzylamine-type inhibitors of phenylethanolamine N- methyltransferase

In the search for potent and selective inhibitors of the enzyme phenylethanolamine N-methyltransferase (PNMT; EC 2.1.1.28), we examined the effect of ring size or an additional heteroatom in the conformationally- restricted benzylamine-type PNMT inhibitors. Based on semiempirical calculations (MNDO) and molecular modeling studies, PNMT-inhibitory activity of these compounds seemed to be dependent on (a) the torsion angle between the plane of the aromatic ring and the endo N atom lone pair (τ2 angle), with the optimal value of τ2 being about -75°, and (b) the amount of steric bulk about the 3-position of 1,2,3,4-tetrahydroisoquinoline (5, THIQ). 2,3,4,5-Tetrahydro-1H-2-benzazepine (6) was found to have the highest selectivity (PNMT K(i) = 3.34 μM, α2 K(i) = 11 μM, selectivity = 3.2) as compared to other homologues of THIQ (PNMT K(i) = 9.67 μM, α2 K(i) = 0.35 μM, selectivity = 0.036). The higher PNMT-inhibitory activity of 6 was attributed to favorable steric interactions of the puckered methylene groups in the putative bioactive conformation of 6 at the PNMT active site, whereas unfavorable interactions of these puckered methylene groups at the α2- adrenoceptor were thought to be the cause of reduced α2 affinity of 6. No further enhancement of the selectivity of the benzazepine ring system could be obtained via introduction of a second heteroatom (N, O, S) at the 5- position in this ring system.