Lanifibranor

Base Information

• Chemical Name: Lanifibranor
• CAS No.: 927961-18-0
• Molecular Formula: C₁₉H₁₅ClN₂O₄S₂
• Molecular Weight: 434.924
• Mol file: 927961-18-0.mol

Synonyms:5-Chloro-1-[(6-benzothiazolyl)sulfonyl]-1H-indole-2-butanoic acid;

Chemical Property of Lanifibranor

Chemical Property:

• Melting Point: 74 - 80 °C
• Boiling Point: 690.9±65.0 °C(Predicted)
• PKA: 4.69±0.10(Predicted)
• PSA: 125.88000
• Density: 1.56±0.1 g/cm3(Predicted)
• LogP: 5.62950

Purity/Quality:

97% ^*data from raw suppliers

Lanifibranor ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Uses: Lanifibranor, a new antifibrotic clinical candidate, acting as a pan peroxisome proliferator-activated receptor (PPAR) agonist.

Technology Process of Lanifibranor

There total 5 articles about Lanifibranor 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: 83.0%

→ lanifibranor (927961-18-0)

Guidance literature:

Reference yield: 57.0%

methyl 4-[1-(1,3-benzothiazol-6-ylsulfonyl)-5-chloroindol-2-yl]butanoate (927961-17-9) → lanifibranor (927961-18-0)

Guidance literature:

With lithium hydroxide monohydrate; In tetrahydrofuran; water; at 20 ℃; for 3h;

DOI:10.1021/acs.jmedchem.7b01285

Reference yield:

p-chloro-o-iodoaniline (63069-48-7) → lanifibranor (927961-18-0)

Guidance literature:

Multi-step reaction with 3 steps

1: pyridine / 1 h / 20 °C

2: copper(l) iodide; bis-triphenylphosphine-palladium(II) chloride; diethylamine / N,N-dimethyl-formamide / 0.25 h / 130 °C / Microwave irradiation

3: lithium hydroxide monohydrate / water; tetrahydrofuran / 3 h / 20 °C

With pyridine; bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; lithium hydroxide monohydrate; diethylamine; In tetrahydrofuran; water; N,N-dimethyl-formamide; 2: |Sonogashira Cross-Coupling;

DOI:10.1021/acs.jmedchem.7b01285

upstream raw materials:

p-chloro-o-iodoaniline

methyl 4-[1-(1,3-benzothiazol-6-ylsulfonyl)-5-chloroindol-2-yl]butanoate

1,3-benzothiazole-6-sulfonyl chloride