N-[4-(2-tert-Butylphenylsulfonyl)phenyl]-2,3,4-trihydroxy-5-(2-isopropylbenzyl)benzamide

Base Information

• Chemical Name: N-[4-(2-tert-Butylphenylsulfonyl)phenyl]-2,3,4-trihydroxy-5-(2-isopropylbenzyl)benzamide
• CAS No.: 877877-35-5
• Molecular Formula: C33H35NO6S
• Molecular Weight: 573.70
• UNII: FQ8NY4LUO5
• ChEMBL ID: CHEMBL217354
• DSSTox Substance ID: DTXSID10466395
• Nikkaji Number: J2.677.093I
• Wikidata: Q27166769
• Mol file: 877877-35-5.mol

Synonyms:TW-37;877877-35-5;N-[4-(2-tert-Butylphenylsulfonyl)phenyl]-2,3,4-trihydroxy-5-(2-isopropylbenzyl)benzamide;tw 37;N-(4-((2-(tert-butyl)phenyl)sulfonyl)phenyl)-2,3,4-trihydroxy-5-(2-isopropylbenzyl)benzamide;FQ8NY4LUO5;CHEMBL217354;MFCD17010275;5-(2-isopropylbenzyl)-N-(4-(2-tert-butylphenylsulfonyl)phenyl)-2,3,4-trihydroxybenzamide;N-[4-(2-tert-butylphenyl)sulfonylphenyl]-2,3,4-trihydroxy-5-[(2-propan-2-ylphenyl)methyl]benzamide;N-{4-[(2-tert-butylbenzene)sulfonyl]phenyl}-2,3,4-trihydroxy-5-[(2-isopropylphenyl)methyl]benzamide;Benzamide, N-(4-((2-(1,1-dimethylethyl)phenyl)sulfonyl)phenyl)-2,3,4-trihydroxy-5-((2-(1-methylethyl)phenyl)methyl)-;N-(4-((2-(1,1-Dimethylethyl)phenyl)sulfonyl)phenyl)-2,3,4-trihydroxy-5-((2-(1-methylethyl)phenyl)methyl)benzamide;N-[4-[[2-(1,1-Dimethylethyl)phenyl]sulfonyl]phenyl]-2,3,4-trihydroxy-5-[[2-(1-methylethyl)phenyl]methyl]benzamide;UNII-FQ8NY4LUO5;MLS006010425;SCHEMBL687266;TW37;CHEBI:95008;DTXSID10466395;BCPP000030;HMS3651I03;TW 37;AMY20584;BCP27702;CKB87735;EX-A2173;BDBM50196032;s1121;AKOS015966872;CCG-264828;CS-0155;SB19398;NCGC00263208-01;NCGC00263208-05;AC-32081;BP-25408;CS-11194;HY-12020;SMR004701450;SY008562;FT-0761754;SW218144-2;A922660;J-523014;BRD-K28360340-001-01-8;Q27166769;(N-[(2-tert-butylbenzenesulfonyl)phenyl]-2,3,4-trihydroxy-5-(2-isopropylbenzyl)benzamide;N-(4-((2-Tert-Butylphenyl)sulfonyl)phenyl)-2,3,4-trihydroxy-5-((2-isopropylphenyl)methyl)benzamide;N-[(2-tert-butyl-benzenesulfonyl)-phenyl]-2,3,4-trihydroxy-5-(2-isopropyl-benzyl)-benzamide;N-[4-[[2-(1,1-Dimethylethyl)phenyl] sulfonyl]phenyl]-2,3,4-trihydroxy-5-[[2-(1-methyle thyl)phenyl]methyl]benzamide

Chemical Property of N-[4-(2-tert-Butylphenylsulfonyl)phenyl]-2,3,4-trihydroxy-5-(2-isopropylbenzyl)benzamide

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 723.722°C at 760 mmHg
• PKA: 7.86±0.50(Predicted)
• Flash Point: 391.493°C
• PSA: 132.31000
• Density: 1.28g/cm³
• LogP: 8.05400
• Storage Temp.: Store at -20°C
• Solubility.: insoluble in H2O; ≥19.75 mg/mL in DMSO; ≥3.41 mg/mL in EtOH with gentle warming and ultrasonic
• XLogP3: 7.8
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 573.21850901
• Heavy Atom Count: 41
• Complexity: 963

Purity/Quality:

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

TW 37 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C1=CC=CC=C1CC2=CC(=C(C(=C2O)O)O)C(=O)NC3=CC=C(C=C3)S(=O)(=O)C4=CC=CC=C4C(C)(C)C
• Description: TW-37 is an inhibitor of the Bcl-2 family proteins Bcl-2, Mcl-1, and Bcl-xL (Kis = 120, 260, and 1,100 nM, respectively). It induces apoptosis, inhibits migration and capillary sprouting, and blocks the expression of the angiogenic chemokines CXCL1 and CXCL8 in endothelial cells. TW-37 decreases the density of functional human microvessels in the severe combined immunodeficient mouse model of human angiogenesis when administered intravenously. It has apoptotic action against leukemia, lymphoma, and pancreatic cancer cells.
• Uses: TW-37 is a novel nonpeptide inhibitor to recombinant Bcl-2, Bcl-xL and Mcl-1 with Ki of 0.29 μM, 1.11 μM and 0.26 μM, respectively. TW-37 is a Bcl-2 inhibitor that suppresses growth and enhance cisplatin-induced apoptosis in ovarian cancer cells. Also functions as an MCL-1 inhibitor that kills many more malignant cells.