Delapril

Base Information

• Chemical Name: Delapril
• CAS No.: 83435-66-9
• Molecular Formula: C₂₆H₃₂N₂O₅
• Molecular Weight: 452.55
• UNII: W77UAL9THI
• DSSTox Substance ID: DTXSID101016742
• Nikkaji Number: J239.643B
• Wikipedia: Delapril
• Wikidata: Q1164067
• NCI Thesaurus Code: C75022
• Pharos Ligand ID: 21VUJ3G74S7M
• ChEMBL ID: CHEMBL589583
• Mol file: 83435-66-9.mol

Synonyms:CV 3317;CV-3317;delapril;derapril;N-(2,3-dihydro-1H-inden-2-yl)-N-(N-(1-(ethoxycarbonyl)-3-phenylpropyl)alanyl)glycine

Chemical Property of Delapril

Chemical Property:

• Vapor Pressure: 2.67E-18mmHg at 25°C
• Boiling Point: 659.7°C at 760 mmHg
• Flash Point: 352.7°C
• PSA: 95.94000
• Density: 1.22g/cm³
• LogP: 3.00050
• Storage Temp.: 2-8°C
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 12
• Exact Mass: 452.23112213
• Heavy Atom Count: 33
• Complexity: 649

Purity/Quality:

98%,99%, ^*data from raw suppliers

Delapril ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N(CC(=O)O)C2CC3=CC=CC=C3C2
• Isomeric SMILES: CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)N(CC(=O)O)C2CC3=CC=CC=C3C2
• Recent ClinicalTrials: A Study to Evaluate the Effects of Manidipine Versus Amlodipine and the Combination of Manidipine Plus Delapril Versus Amlodipine Plus Delapril on Intraglomerular Pressure in Hypertensive Patients
• Recent EU Clinical Trials: DOUBLE BLIND, RANDOMISED, PARALLEL GROUP, MULTICENTRE STUDY TO EVALUATE THE EFFECTS OF MANIDIPINE 20 MG VS AMLODIPINE 10 MG AND THE COMBINATION OF MANIDIPINE 10 MG PLUS DELAPRIL 30 MG VS AMLODIPINE 5 MG PLUS DELAPRIL 30 MG ON INTRAGLOMERULAR PRESSURE IN HYPERTENSIVE PATIENTS.

Technology Process of Delapril

There total 2 articles about Delapril 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: 91.0%

delapril benzyl ester (119543-19-0) → delapril (83435-67-0,110508-92-4,110508-93-5,83435-66-9)

Guidance literature:

With hydrogenchloride; palladium 10% on activated carbon; hydrogen; In ethanol; ethyl acetate; at 15 - 20 ℃;

Reference yield:

N-(2,3-dihydro-1 H-inden-2-yl)-glycine benzyl ester hydrochloride (83356-18-7) + N-[1-(S)-(ethoxycarbonyl)-3-phenylpropyl]-L-alanine hydrochloride (80828-26-8) → delapril (83435-67-0,110508-92-4,110508-93-5,83435-66-9)

Guidance literature:

Multi-step reaction with 2 steps

1.1: hydrogenchloride; (chloromethylene)dimethyliminium chloride / dichloromethane / 0.5 h / -10 - -5 °C / Inert atmosphere

1.2: Inert atmosphere

2.1: hydrogen; palladium 10% on activated carbon; hydrogenchloride / ethyl acetate; ethanol / 15 - 20 °C

With hydrogenchloride; (chloromethylene)dimethyliminium chloride; palladium 10% on activated carbon; hydrogen; In ethanol; dichloromethane; ethyl acetate;

upstream raw materials:

delapril benzyl ester

N-(2,3-dihydro-1 H-inden-2-yl)-glycine benzyl ester hydrochloride

N-[1-(S)-(ethoxycarbonyl)-3-phenylpropyl]-L-alanine hydrochloride

Refernces