CID 198763

Base Information

• Chemical Name: CID 198763
• CAS No.: 147366-41-4
• Molecular Formula: C₂₁H₂₂N₃OS₂*Cl
• Molecular Weight: 432.01
• Mol file: 147366-41-4.mol

Synonyms:1-ethyl-2-((3-ethyl-5-(3-methylbenzothiazolin-2-yliden))-4-oxothiazolidin-2-ylidenemethyl)pyridium chloride;FJ-776;MKT 077;MKT-077

Chemical Property of CID 198763

Chemical Property:

• PSA: 87.29000
• LogP: 0.19120
• Storage Temp.: 2-8°C
• Solubility.: H2O: soluble10mg/mL, clear
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 431.0892824
• Heavy Atom Count: 28
• Complexity: 647

Purity/Quality:

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

MKT 077 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN1C(=CC2=CC=CC=[N+]2CC)SC(=C3N(C4=CC=CC=C4S3)C)C1=O.[Cl-]
• Description: MKT-077 is a cationic rhodacyanine dye that demonstrates antiproliferative activity against cancer cell lines (EC50s = 1.4-2.2 μM in vitro) through its ability to inhibit members of the heat shock protein 70 (Hsp70) family of molecular chaperones. It has been shown to bind to an allosteric site conserved in Hsp70 family members, interfering with ATP hydrolysis and abrogating the interaction of the chaperone with the tumor suppressor p53.
• Uses: MKT-077 is used in the treatment of Alzheimer’s diseases and other tauopathie’s. Also, is a rhodacyanine derivative that selectively targets cancer cells and overcomes tamoxifen resistance

Technology Process of CID 198763

There total 1 articles about CID 198763 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:

C21H22N3OS2(1+)*C7H7O3S(1-) (157487-33-7) → MKT-077 (147366-41-4)

Guidance literature:

With Amberlite IRA 400(Cl^-);

upstream raw materials:

C₂₁H₂₂N₃OS₂⁽¹⁺⁾*C₇H₇O₃S^(1-)

Refernces