NF-kB Activation Inhibitor VI, BOT-64

Base Information

• Chemical Name: NF-kB Activation Inhibitor VI, BOT-64
• CAS No.: 113760-29-5
• Molecular Formula: C15H15NO2S
• Molecular Weight: 273.356
• Mol file: 113760-29-5.mol

Synonyms:1,3-Benzoxathiol-4(5H)-one,6,7-dihydro-6,6-dimethyl-2-(phenylimino);6,6-dimethyl-2-(phenylimino)-6,7-dihydro-5H-benzo[1,3]oxathiol-4-one;6,6-dimethyl-2-(phenylimino)-6,7-dihydrobenzo[d][1,3]oxathiol-4(5H)-one;2-phenylimino-4-oxo-4,5,6,7-tetrahydro-6,6-dimethyl-1,3-benzoxathiole;

Chemical Property of NF-kB Activation Inhibitor VI, BOT-64

Chemical Property:

• Boiling Point: 402.1±48.0 °C(Predicted)
• PKA: 0.25±0.40(Predicted)
• PSA: 70.81000
• Density: 1.27±0.1 g/cm3(Predicted)
• LogP: 3.72860
• Storage Temp.: -20C
• Sensitive.: Light Sensitive
• Solubility.: Soluble in ethanol or DMSO

Purity/Quality:

99.90% ^*data from raw suppliers

NF-κB Activation Inhibitor VI, BOT-64 - CAS 113760-29-5 - Calbiochem ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: A cell-permeable benzoxathiole compound that acts as an IKK-2 inhibitor

Technology Process of NF-kB Activation Inhibitor VI, BOT-64

There total 2 articles about NF-kB Activation Inhibitor VI, BOT-64 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: 74.0%

(4,4-dimethyl-2,6-dioxo-cyclohexyl)-phenyl-iodonium betaine (35024-12-5) + phenyl isothiocyanate (103-72-0) → 6,6-dimethyl-2-(phenylimino)-6,7-dihydrobenzo[d][1,3]oxathiol-4(5H)-one (113760-29-5)

Guidance literature:

With copper acetylacetonate; at 80 ℃;

DOI:10.1016/S0040-4039(00)96535-3

Reference yield: 35.0%

phenyl isothiocyanate (103-72-0) + dimedone (126-81-8) → 6,6-dimethyl-2-(phenylimino)-6,7-dihydrobenzo[d][1,3]oxathiol-4(5H)-one (113760-29-5)

Guidance literature:

dimedone; With iodosylbenzene; In dichloromethane; at 20 ℃; for 1h;

phenyl isothiocyanate; dirhodium tetraacetate; In benzene; for 5h; Further stages.; Heating;

DOI:10.1124/mol.107.041251

upstream raw materials:

(4,4-dimethyl-2,6-dioxo-cyclohexyl)-phenyl-iodonium betaine

phenyl isothiocyanate

dimedone

Refernces

• 1、 Venkateswararao, Eeda,Anh, Hoang Le Tuan,Sharma, Vinay K.,Lee, Ki-Cheul,Sharma, Niti,Kim, Youngsoo,Jung, Sang-Hun. "Study on anti-proliferative effect of benzoxathiole derivatives through inactivation of NF-κB in human cancer cells". supporting information; experimental part. p. 4523 - 4527. Retrieved 2012/08/07.