Sulofenur

Base Information

• Chemical Name: Sulofenur
• CAS No.: 110311-27-8
• Molecular Formula: C16H15 Cl N2 O3 S
• Molecular Weight: 350.826
• Hs Code.: 2935009090
• NSC Number: 656667,645012,642684
• UNII: Z45N070N3S
• DSSTox Substance ID: DTXSID20149208
• Nikkaji Number: J345.437A
• Wikidata: Q27294971
• NCI Thesaurus Code: C1432
• ChEMBL ID: CHEMBL7643
• Mol file: 110311-27-8.mol

Synonyms:ISCU;LY 186641;LY-186641;LY186641;N-(5-indanylsulfonyl)-N'-(4-chlorophenyl)urea;sulofenur

Chemical Property of Sulofenur

Chemical Property:

• Melting Point: 169-172 °C
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 83.65000
• Density: 1.449g/cm³
• LogP: 4.88380
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 350.0491912
• Heavy Atom Count: 23
• Complexity: 526

Purity/Quality:

95% ^*data from raw suppliers

SULOFENUR 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC2=C(C1)C=C(C=C2)S(=O)(=O)NC(=O)NC3=CC=C(C=C3)Cl
• Uses: Antineoplastic. Sulofenur can be used for preventing or treating cancer and autoimmune disorders, where it can be used as conjoint therapy for immunomodulation.

Technology Process of Sulofenur

There total 7 articles about Sulofenur 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: 88.0%

2,3-dihydro5-indenylsulfonylisocyanate (52405-96-6) + 4-chloro-aniline (106-47-8) → sulofenur (110311-27-8)

Guidance literature:

In toluene;

DOI:10.1021/jm00171a013

Reference yield: 77.0%

2,3-dihydro-5-indenylsulfonamide (35203-93-1) + p-chlorphenylisocyanate (104-12-1) → sulofenur (110311-27-8)

Guidance literature:

With sodium hydroxide; In water; acetone;

DOI:10.1021/jm00171a013

Reference yield: 56.0%

→ sulofenur (110311-27-8) + N-([(4-chlorophenyl)amino]carbonyl)-5,6,7,8-tetrahydro-2-naphthalenesulfonamide (112894-43-6)

Guidance literature:

upstream raw materials:

2,3-dihydro-5-indenylsulfonamide

p-chlorphenylisocyanate

2,3-dihydro5-indenylsulfonylisocyanate

4-chloro-aniline