Tienilic acid

Base Information

• Chemical Name: Tienilic acid
• CAS No.: 40180-04-9
• Molecular Formula: C13H8Cl2O4S
• Molecular Weight: 331.176
• Hs Code.: 2934999090
• European Community (EC) Number: 254-826-3
• UNII: HC95205SY4
• DSSTox Substance ID: DTXSID4023670
• Nikkaji Number: J16.869F
• Wikipedia: Tienilic_acid
• Wikidata: Q7801054
• NCI Thesaurus Code: C152613
• Metabolomics Workbench ID: 67726
• ChEMBL ID: CHEMBL267744
• Mol file: 40180-04-9.mol

Synonyms:Acid, Thienylic;Acid, Tienilic;ANP 3624;ANP-3624;ANP3624;Selacryn;SKF 62698;SKF-62698;SKF62698;Thienylic Acid;Ticrynafen;Tienilic Acid

Chemical Property of Tienilic acid

Chemical Property:

• Vapor Pressure: 2.94E-12mmHg at 25°C
• Melting Point: 148-149oC
• Boiling Point: 534.6°C at 760 mmHg
• PKA: 2.79±0.10(Predicted)
• Flash Point: 277.1°C
• PSA: 91.84000
• Density: 1.532
• LogP: 3.74930
• Storage Temp.: -20°C Freezer
• Solubility.: DMSO: soluble5mg/mL (clear solution)
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 329.9520353
• Heavy Atom Count: 20
• Complexity: 379

Purity/Quality:

97% ^*data from raw suppliers

Tienilic acid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CSC(=C1)C(=O)C2=C(C(=C(C=C2)OCC(=O)O)Cl)Cl
• Description: Cytochrome P450 enzymes function to metabolize both endogenous and exogenous compounds. Both the 3A and 2C isoforms are present in human liver of which CYP2C9 seems most highly expressed. Tienilic acid is a specific suicide substrate for CYP2C9 and CYP2C10 whereby its oxidation inactivates the enzyme. The time required to inactivate one half of the CYP2C10 enzyme at the maximal rate (t?max) is 3.4 minutes, with a dissociation constant (KI) value of 4.3 μM.
• Uses: A heterocycloc derivative of phenoxyacetic Acid. Uses as a diuretic, uricosuric, anhtihypertensive Tienilic Acid is a heterocyclic derivative of phenoxyacetic acid. Tienilic acid is used as diuretic, uricosuric, antihypertensive.

Technology Process of Tienilic acid

There total 2 articles about Tienilic acid 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: 90.0%

→ tienilic acid (40180-04-9)

Guidance literature:

Reference yield:

3-[2,3-dichloro-4-(2-thenoyl)-phenoxy]-propanediol → tienilic acid (40180-04-9)

Guidance literature:

Reference yield:

tienilic acid (40180-04-9) + Pentaerythritol (115-77-5) → 3-hydroxy-2,2-bis(hydroxymethyl)propyl 2-(2,3-dichloro-4-(thiophene-2-carbonyl)phenoxy)acetate

Guidance literature:

With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In N,N-dimethyl-formamide; at 25 ℃;

Downstream raw materials:

[2,3-dichloro-4-(hydroxy-thiophen-2-yl-methyl)-phenoxy]-acetic acid

Refernces

Some new prazosin analogues

10.1002/ardp.19893220607

Prazosin, a selective a1-adrenergic antagonist used in antihypertensive therapy, has limitations due to its short half-life and side effects. To address these issues, the researchers synthesized new analogues by modifying the C-2 side-chain of prazosin, incorporating fragments from tienilic acid, guanethidine, and lidoflazine. The compounds were synthesized using various chemical procedures and their structures were confirmed through analytical data. The pharmacological properties were evaluated in terms of acute toxicity and hypotensive effects in mice and genetically hypertensive rats, respectively. The results showed that compound 5, featuring a tienilic residue in place of the furan ring, exhibited the highest hypotensive effect and a more long-lasting activity compared to prazosin. The study concludes that the new compounds, particularly compound 5, have potential for improved pharmacokinetic properties and hypotensive activity, warranting further investigation for their therapeutic applications.

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