Cilazaprilat

Base Information

• Chemical Name: Cilazaprilat
• CAS No.: 90139-06-3
• Molecular Formula: C20H27N3O5
• Molecular Weight: 389.451
• UNII: WBL76FH528
• DSSTox Substance ID: DTXSID00238043
• Wikidata: Q27076049
• NCI Thesaurus Code: C75927
• Metabolomics Workbench ID: 155541
• ChEMBL ID: CHEMBL2104578
• Mol file: 90139-06-3.mol

Synonyms:cilazaprilat;cilazaprilat anhydrous;Ro 31-3113;Ro 313113

Chemical Property of Cilazaprilat

Chemical Property:

• Appearance/Colour: White to off-white solid
• Vapor Pressure: 3.56E-16mmHg at 25°C
• Melting Point: 150-160 °C
• Refractive Index: 1.624
• Boiling Point: 618.9 °C at 760mmHg
• Flash Point: 328.1 °C
• PSA: 110.18000
• Density: 1.34 g/cm³
• LogP: 1.38370
• Storage Temp.: -20°C Freezer
• Solubility.: Aqueous Base (Slightly), DMSO (Slightly, Heated), Methanol (Slightly, Heated)
• XLogP3: -2.4
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 7
• Exact Mass: 389.19507097
• Heavy Atom Count: 28
• Complexity: 578

Purity/Quality:

98%Min ^*data from raw suppliers

Cilazaprilat ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(C(=O)N2C(CCCN2C1)C(=O)O)NC(CCC3=CC=CC=C3)C(=O)O
• Isomeric SMILES: C1C[C@@H](C(=O)N2[C@@H](CCCN2C1)C(=O)O)N[C@@H](CCC3=CC=CC=C3)C(=O)O
• Uses: The active metabolite of Cilazapril. An ACE inhibitor. Antihypertensive The active metabolite of Cilazapril. An ACE inhibitor. Antihypertensive.

Technology Process of Cilazaprilat

There total 2 articles about Cilazaprilat 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:

cilazapril (88768-40-5,106928-09-0) → ethanol (64-17-5) + cilazaprilat (90139-06-3)

Guidance literature:

With Tris-HCl buffer; human liver carboxylesterase pI 4.5; at 37 ℃; pH=7.4; Further Variations:; Reagents; Enzyme kinetics;

DOI:10.1248/bpb.20.869

Reference yield:

cilazapril (88768-40-5,106928-09-0) → cilazaprilat (90139-06-3)

Guidance literature:

In water; at 4 ℃; Product distribution; further solvens, further temperature; stability studies at various conditions;

DOI:10.1002/jps.2600760308

upstream raw materials:

cilazapril

Refernces

• 1、 Tanaka,Yoneyama,Sugawara,Umeda,Ohta. "Enzyme immunoassay discrimination of a new angiotensin-converting enzyme (ACE) inhibitor, cilazapril, and its active metabolite". . p. 224 - 227. Retrieved 2007/10/02.