Apoptosis Inhibitor II, NS3694

Base Information

• Chemical Name: Apoptosis Inhibitor II, NS3694
• CAS No.: 426834-38-0
• Molecular Formula: C15H10ClF3N2O3
• Molecular Weight: 358.70000
• DSSTox Substance ID: DTXSID00435797
• Nikkaji Number: J2.926.663H
• Wikidata: Q27164210
• Pharos Ligand ID: CA6Z4SWNFCBA
• ChEMBL ID: CHEMBL154696
• Mol file: 426834-38-0.mol

Synonyms:NS3694

Chemical Property of Apoptosis Inhibitor II, NS3694

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 378.448oC at 760 mmHg
• Flash Point: 182.679oC
• PSA: 78.43000
• Density: 1.574g/cm3
• LogP: 4.84700
• Storage Temp.: 2-8°C
• Solubility.: DMSO: 22 mg/mL, soluble
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 358.0332044
• Heavy Atom Count: 24
• Complexity: 475

Purity/Quality:

98%Min ^*data from raw suppliers

NS3694 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)NC(=O)NC2=C(C=CC(=C2)Cl)C(=O)O)C(F)(F)F
• Description: Cytochrome c, which leaks from the mitochondrial intermembrane space into the cytosol, causes oligomerization of apoptotic protease-activating factor 1 (Apaf-1), forming a caspase activation complex known as the apoptosome. NS3694 is a cell-permeable diarylurea compound that inhibits apoptosome formation and caspase activation. It blocks cytochrome c-induced caspase activation in HeLa cell cytosolic extracts with an IC50 value of approximately 50 μM. NS3694 prevents the formation of apoptosomes, which prevents the association of procaspases with Apaf-1. It suppresses caspase activation and apoptosis in cells treated with either TNF-α or staurosporine . NS3694 is used to examine the role of apoptosome-mediated caspase activation in cell death.
• Uses: NS3694 is a suppressor of the formation of apoptosome Apaf-1.

Technology Process of Apoptosis Inhibitor II, NS3694

There total 2 articles about Apoptosis Inhibitor II, NS3694 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: 63.0%

2-Amino-4-chlorobenzoic acid (89-77-0) + 1-isocyanato-3-trifluoromethyl-benzene (329-01-1) → 4-chloro-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzoic acid (426834-38-0)

Guidance literature:

In tetrahydrofuran; at 20 ℃;

DOI:10.1021/jm030428j

Reference yield:

→ 4-chloro-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzoic acid (426834-38-0)

Guidance literature:

Reference yield:

3-azidopropylamine (88192-19-2) + 4-chloro-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzoic acid (426834-38-0) → C18H16ClF3N6O2

Guidance literature:

With 1,1'-carbonyldiimidazole; In tetrahydrofuran;

upstream raw materials:

2-Amino-4-chlorobenzoic acid

1-isocyanato-3-trifluoromethyl-benzene

Refernces

• 1、 Valgeirsson, Jon,Nielsen, Elsebet ?.,Peters, Dan,Varming, Thomas,Mathiesen, Claus,Kristensen, Anders S.,Madsen, Ulf. "2-Arylureidobenzoic Acids: Selective Noncompetitive Antagonists for the Homomeric Kainate Receptor Subtype GluR5". . p. 5834 - 5843. Retrieved 2007/10/03.