1977-08-8

Basic information

• Product Name: 2-chloro-11-(4-methyl-1-piperazinyl)-5H-dibenzo(b,e)(1,4)diazepine
• Synonyms: 2-chloro-11-(4-methyl-1-piperazinyl)-5H-dibenzo(b,e)(1,4)diazepine;2-Chloro-11-(4-methylpiperazino)-5H-dibenzo[b,e][1,4]diazepine;HF-2046;Isoclozapine;8-chloro-6-(4-methylpiperazin-1-yl)-11H-benzo[b][1,5]benzodiazepine
• CAS NO: 1977-08-8
• Molecular Formula: C₁₈H₁₉ClN₄
• Molecular Weight: 326.82
• Mol File: 1977-08-8.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 483.8°C at 760 mmHg
• Flash Point: 246.4°C
• Appearance: /
• Density: 1.31g/cm³
• Vapor Pressure: 1.62E-09mmHg at 25°C
• Refractive Index: 1.681
• CAS DataBase Reference: 2-chloro-11-(4-methyl-1-piperazinyl)-5H-dibenzo(b,e)(1,4)diazepine(CAS DataBase Reference)
• NIST Chemistry Reference: 2-chloro-11-(4-methyl-1-piperazinyl)-5H-dibenzo(b,e)(1,4)diazepine(1977-08-8)
• EPA Substance Registry System: 2-chloro-11-(4-methyl-1-piperazinyl)-5H-dibenzo(b,e)(1,4)diazepine(1977-08-8)

Safety Data

• Hazardous Substances Data: 1977-08-8(Hazardous Substances Data)

Usage

InChI:InChI=1/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-12-13(19)6-7-15(14)20-16-4-2-3-5-17(16)21-18/h2-7,12,20H,8-11H2,1H3

Upstream product

• 109-01-3 1-methyl-piperazine 
• 82096-44-4 2?chloro?5H?dibenzo[b,e][1,4]diazepin?11(10H)?one 
• 5814-41-5 5,10-dihydro-11H-dibenzo[b,e][1,4]-diazepin-11-one 
• 1829-28-3 ethyl 2-iodobenzoate 
• 88-67-5 2-Iodobenzoic acid 
• 635-21-2 5-chloroanthranilic acid 
• 97027-31-1 5-Chloro-2-(2-nitro-phenylamino)-benzoic acid 
• 92022-83-8 N-(o-aminophenyl)-5-chloroanthranilic acid 
• 577-19-5 2-nitrophenyl bromide 

Relevant articles and documents

Synthesis and evaluation of antitumor activity of dibenzodiazepine derivatives

Abstract: A series of dibenzodiazepine 2-position derivatives, bearing N-methylpiperazine at the C-11 position, were prepared by using a concise approach. Their inhibitory activities of tumor cell proliferation in vitro were tested in five cell lines, including breast cancer cell BCAP37, gastric cancer cell SGC7901, liver cancer cell HepG2, cervical cancer cell HeLa and acute promyelocytic leukemia cell HL-60. Several compounds showed efficient tumor activity with IC50 values down to 0.30?μM. These compounds are expected to be a new class of potential anticancer lead compounds. Graphic abstract: [Figure not available: see fulltext.]

Modification of the clozapine structure by parallel synthesis

A structure-activity study based on the core structure of clozapine 1b was accomplished by utilizing high-throughput synthesis. Several focused libraries were designed and synthesized to quickly develop SAR. The results indicate that by varying different regions of clozapine, both D1-selective and D2-selective compounds can be obtained.