31598-52-4

Basic information

• Product Name: 3-[[2-[2,4-bis(tert-pentyl)phenoxy]butyryl]amino]-N-[4,5-dihydro-5-oxo-1-(2,4,6-trichlorophenyl)-1H-pyrazol-3-yl]benzamide
• Synonyms: 3-[[2-[2,4-bis(tert-pentyl)phenoxy]butyryl]amino]-N-[4,5-dihydro-5-oxo-1-(2,4,6-trichlorophenyl)-1H-pyrazol-3-yl]benzamide;3-[[2-[2,4-Bis(tert-pentyl)phenoxy]butyryl]amino]-N-[4,5-dihydro-5-oxo-1-(2,4,6-trichlorphenyl)-1H-pyrazol-3-yl]benzamid;1-(2,4,6-Trichlorophenyl)-3-[3-[.alpha.-(2,4-di-tert-amylphenoxy)-butylamido]-benzamido]-5-pyrazolone;1-(2,4,6-Trichlorophenyl)-3-[3-[2-(2,4-di-tert-pentylphenoxy)butyrylamino]benzoylamino]-5(4H)-pyrazolone;N-[3-[[1-(2,4,6-Trichlorophenyl)-4,5-dihydro-5-oxo-1H-pyrazole-3-yl]carbamoyl]phenyl]-2-(2,4-bis-tert-pentylphenoxy)butanamide
• CAS NO: 31598-52-4
• Molecular Formula: C₃₆H₄₁Cl₃N₄O₄
• Molecular Weight: 700.09414
• EINECS: 250-720-6
• Mol File: 31598-52-4.mol
• Article Data: 0

Chemical Properties

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Appearance: /
• Density: 1.26g/cm³
• Refractive Index: 1.599
• PKA: 8.25±0.20(Predicted)
• CAS DataBase Reference: 3-[[2-[2,4-bis(tert-pentyl)phenoxy]butyryl]amino]-N-[4,5-dihydro-5-oxo-1-(2,4,6-trichlorophenyl)-1H-pyrazol-3-yl]benzamide(CAS DataBase Reference)
• NIST Chemistry Reference: 3-[[2-[2,4-bis(tert-pentyl)phenoxy]butyryl]amino]-N-[4,5-dihydro-5-oxo-1-(2,4,6-trichlorophenyl)-1H-pyrazol-3-yl]benzamide(31598-52-4)
• EPA Substance Registry System: 3-[[2-[2,4-bis(tert-pentyl)phenoxy]butyryl]amino]-N-[4,5-dihydro-5-oxo-1-(2,4,6-trichlorophenyl)-1H-pyrazol-3-yl]benzamide(31598-52-4)

Safety Data

• Hazardous Substances Data: 31598-52-4(Hazardous Substances Data)

Usage

General Description

3-[[2-[2,4-bis(tert-pentyl)phenoxy]butyryl]amino]-N-[4,5-dihydro-5-oxo-1-(2,4,6-trichlorophenyl)-1H-pyrazol-3-yl]benzamide, more commonly known as TAK-220, is a chemical compound with potential pharmaceutical applications. It is a selective antagonist of the chemokine receptor CCR5, which plays a role in the inflammatory response and immune system function. TAK-220 has been studied for its potential use in the treatment of HIV and various inflammatory diseases. It is synthesized through the combination of different chemical groups, including 2,4-bis(tert-pentyl)phenoxy and 2,4,6-trichlorophenyl, giving it its distinctive molecular structure. TAK-220 shows promise as a therapeutic agent in the field of immunology and inflammatory diseases.

InChI:InChI=1/C36H41Cl3N4O4/c1-8-28(47-29-15-14-22(35(4,5)9-2)17-25(29)36(6,7)10-3)34(46)40-24-13-11-12-21(16-24)33(45)41-30-20-31(44)43(42-30)32-26(38)18-23(37)19-27(32)39/h11-19,28H,8-10,20H2,1-7H3,(H,40,46)(H,41,42,45)