Diphenyl acetamidotrichloroethyl fluoronitrophenyl thiourea

Base Information

• Chemical Name: Diphenyl acetamidotrichloroethyl fluoronitrophenyl thiourea
• CAS No.: 905973-89-9
• Molecular Formula: C₂₃H₁₈Cl₃FN₄O₃S
• Molecular Weight: 555.844
• UNII: L3DGZ99QYM
• DSSTox Substance ID: DTXSID30424997
• Nikkaji Number: J2.578.365D
• Wikidata: Q27074592
• ChEMBL ID: CHEMBL1221601
• Mol file: 905973-89-9.mol

Synonyms:CGK 733;CGK-733;CGK733

Chemical Property of Diphenyl acetamidotrichloroethyl fluoronitrophenyl thiourea

Chemical Property:

• Density: 1.502g/cm³
• Storage Temp.: 2-8°C
• Solubility.: ≥27.8 mg/mL in DMSO; insoluble in H2O; ≥5.55 mg/mL in EtOH with gentle warming and ultrasonic
• XLogP3: 6.1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 554.014923
• Heavy Atom Count: 35
• Complexity: 725

Purity/Quality:

98%,99%, ^*data from raw suppliers

CGK 733 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC3=CC(=C(C=C3)F)[N+](=O)[O-]
• Uses: CGK733 is a noted ataxia telangiectasia-mutated (ATM) protein/kinase inhibitor. Cell proliferation inhibitor and anticancer agent. Ataxia-telangiectasia mutated (ATM) and ATM- and Rad3-related (ATR) kinases mediate the DNA damage response pathway in cells upon encounter with genotoxic agents. Their signaling can activate cell cycle arrest, DNA repair, induction of premature senescence, and cell death. Inhibiting this pathway is one strategy implemented to increase the therapeutic capacity of certain genotoxic anti-cancer regimens by sensitizing cancer cells to these agents. CGK733, a thiourea-containing compound, was originally identified as a specific inhibitor of ATR and ATM kinases (IC50 = ~ 200 nM). In prematurely senescent breast, lung, and colon cancer cells CGK733 reportedly suppresses ATM-mediated p21 expression required for survival, resulting in cell death. Human cancer cell lines exposed to both caffeine and CGK733 demonstrate a rapid decline in cyclin D1 protein levels and a reduction in retinoblastoma protein levels, which leads to the inhibition of their proliferation.

Technology Process of Diphenyl acetamidotrichloroethyl fluoronitrophenyl thiourea

There total 1 articles about Diphenyl acetamidotrichloroethyl fluoronitrophenyl thiourea 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:

C17H13Cl3N2OS + 4-Fluoro-3-nitroaniline (364-76-1) → ATM/ATR Kinase Inhibitor (905973-89-9)

Guidance literature:

In acetonitrile; at 20 ℃; for 12h;

upstream raw materials:

4-Fluoro-3-nitroaniline

Refernces