Dilazep HCl

Base Information

• Chemical Name: Dilazep HCl
• CAS No.: 20153-98-4
• Molecular Formula: C31H44N2O10•2ClH
• Molecular Weight: 677.62
• European Community (EC) Number: 243-548-8
• ChEMBL ID: CHEMBL1256327
• Metabolomics Workbench ID: 70731
• NSC Number: 760096
• Mol file: 20153-98-4.mol

Synonyms:Dilazep dihydrochloride;20153-98-4;Dilazep HCl;3-[4-[3-(3,4,5-trimethoxybenzoyl)oxypropyl]-1,4-diazepan-1-yl]propyl 3,4,5-trimethoxybenzoate;hydrochloride;SMR000326858;NSC-760096;MLS000859999;MLS002153344;MLS002222178;SCHEMBL220842;CHEMBL1256327;Pharmakon1600-01502263;EX-A7247;NSC760096;AKOS040741643;NCGC00180970-01;E77677

Chemical Property of Dilazep HCl

Chemical Property:

• Vapor Pressure: 1.41E-16mmHg at 25°C
• Melting Point: 194-198° (monohydrate)
• Boiling Point: 646°C at 760 mmHg
• Flash Point: 344.5°C
• PSA: 114.46000
• LogP: 5.01970
• Storage Temp.: 2-8°C
• Solubility.: H2O: 10 mg/mL
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 18
• Exact Mass: 640.2762733
• Heavy Atom Count: 44
• Complexity: 727

Purity/Quality:

97% ^*data from raw suppliers

Dilazep dihydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=CC(=C1OC)OC)C(=O)OCCCN2CCCN(CC2)CCCOC(=O)C3=CC(=C(C(=C3)OC)OC)OC.Cl
• Uses: Vasodilatator;Adenosine uptake inhibitor Dilazep Dihydrochloride is a research product for neuroscience. DILAZEP DIHYDROCHLORIDE may exhibit neuroprotective properties. Angiotensin converting, adenosine reuptake inhibitor. Antiplatelet agent. Dilazep acts as a cerebral vasodialator. Dilazep dihydrochloride has been used in estrogen receptor (ERα) antagonistic assay. It has also been used as an equilibrative nucleoside transporter inhibitor (ENT 1 and 2) in cancer cell lines.
• Therapeutic Function: Coronary vasodilator

Technology Process of Dilazep HCl

There total 2 articles about Dilazep HCl which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 55.0%

1,4-Diazacycloheptane (505-66-8) + 3-bromopropyl 3,4,5-trimethoxybenzoate (14037-86-6) → dilazep dihydrochloride (20153-98-4)

Guidance literature:

1,4-Diazacycloheptane; 3-bromopropyl 3,4,5-trimethoxybenzoate; With potassium carbonate; In N,N-dimethyl-formamide; for 48h; Inert atmosphere;

With hydrogenchloride; In diethyl ether; Inert atmosphere;

DOI:10.1016/j.bmcl.2014.10.026

Reference yield:

3,4,5-Trimethoxybenzoyl chloride (4521-61-3) → dilazep dihydrochloride (20153-98-4)

Guidance literature:

Multi-step reaction with 2 steps

1.1: triethylamine / dichloromethane / Inert atmosphere

2.1: potassium carbonate / N,N-dimethyl-formamide / 48 h / Inert atmosphere

2.2: Inert atmosphere

With potassium carbonate; triethylamine; In dichloromethane; N,N-dimethyl-formamide;

DOI:10.1016/j.bmcl.2014.10.026

upstream raw materials:

1,4-Diazacycloheptane

3-bromopropyl 3,4,5-trimethoxybenzoate

3,4,5-Trimethoxybenzoyl chloride