4-(4-Fluorobenzyl)-2-p-tolyl-1,2,4-thiadiazolidine-3,5-dione

Base Information

• Chemical Name: 4-(4-Fluorobenzyl)-2-p-tolyl-1,2,4-thiadiazolidine-3,5-dione
• CAS No.: 883050-24-6
• Molecular Formula: C16H13FN2O2S
• Molecular Weight: 316.356
• UNII: RA72G28VE9
• DSSTox Substance ID: DTXSID30236951
• Wikidata: Q27075771
• Pharos Ligand ID: 3ZXNCHRF1XLW
• ChEMBL ID: CHEMBL1917204
• Mol file: 883050-24-6.mol

Synonyms:4-(4-fluorobenzyl)-2-p-tolyl-1,2,4-thiadiazolidine-3,5-dione;CCG 50014;CCG-50014;CCG50014

Chemical Property of 4-(4-Fluorobenzyl)-2-p-tolyl-1,2,4-thiadiazolidine-3,5-dione

Chemical Property:

• PSA: 72.24000
• Density: 1.398±0.06 g/cm3 (20 ºC 760 Torr)
• LogP: 2.55650
• Storage Temp.: 2-8°C
• Solubility.: DMSO: soluble5mg/mL, clear (warmed)
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 316.06817700
• Heavy Atom Count: 22
• Complexity: 432

Purity/Quality:

99%+, ^*data from raw suppliers

CCG 50014 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)N2C(=O)N(C(=O)S2)CC3=CC=C(C=C3)F
• Description: CCG-50014 is an inhibitor of regulator of G protein signaling 4 (RGS4) (IC50 = 30 nM) and is > 20-fold selective for RGS4 over other RGS proteins. RGS proteins bind to the Gα subunits of activated heterotrimeric G proteins and accelerate the rate of GTP hydrolysis, acting as GTPase-activating proteins. CCG-50014 irreversibly binds and destabilizes RGS4 with no effect on Gα0, while blocking GTPase activity and Gα0-dependent translocation of RGS4 to the membrane.

Technology Process of 4-(4-Fluorobenzyl)-2-p-tolyl-1,2,4-thiadiazolidine-3,5-dione

There total 1 articles about 4-(4-Fluorobenzyl)-2-p-tolyl-1,2,4-thiadiazolidine-3,5-dione 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: 41.0%

4-fluorobenzylisothiocyanate (2740-88-7) + p-Tolylisocyanate (622-58-2,374675-64-6) → 4-[(4-fluorophenyl) methyl]-2-(4-methylphenyl)-1,2,4-thiadiazolidine-3,5-dione (883050-24-6)

Guidance literature:

4-fluorobenzylisothiocyanate; p-Tolylisocyanate; With sulfuryl dichloride; In tetrahydrofuran; at 0 - 20 ℃; for 18h; Inert atmosphere;

With oxygen; In tetrahydrofuran; for 0.5h;

DOI:10.1021/ml200263y

Reference yield:

1-thiopropane (107-03-9) + 4-[(4-fluorophenyl) methyl]-2-(4-methylphenyl)-1,2,4-thiadiazolidine-3,5-dione (883050-24-6) → C19H21FN2O2S2

Guidance literature:

In chloroform-d1; for 120h; Inert atmosphere;

DOI:10.1021/ml200263y

upstream raw materials:

4-fluorobenzylisothiocyanate

p-Tolylisocyanate

Refernces

• 1、 -. "SMALL MOLECULE INHIBITORS OF RGS PROTEINS". Page/Page column 22-23. . Retrieved 2012/11/08.