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Technology Process of 5-[(4-Bromophenyl)methylene]-a-(1-methylethyl)-4-oxo-2-thioxo-3-thiazolidineacetic acid

5-[(4-Bromophenyl)methylene]-a-(1-methylethyl)-4-oxo-2-thioxo-3-thiazolidineacetic acid

Base Information
  • Chemical Name:5-[(4-Bromophenyl)methylene]-a-(1-methylethyl)-4-oxo-2-thioxo-3-thiazolidineacetic acid
  • CAS No.:300817-68-9
  • Molecular Formula:C15H14 Br N O3 S2
  • Molecular Weight:400.31
  • Hs Code.:
  • European Community (EC) Number:636-911-0
  • ChEMBL ID:CHEMBL241895
  • Mol file:300817-68-9.mol
5-[(4-Bromophenyl)methylene]-a-(1-methylethyl)-4-oxo-2-thioxo-3-thiazolidineacetic acid

Synonyms:BH3I-1;300817-68-9;CHEMBL241895;5-[(4-bromophenyl)methylene]-a-(1-methylethyl)-4-oxo-2-thioxo-3-thiazolidineacetic acid;2-(5-(4-bromobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)-3-methylbutanoic acid;2-[5-(4-bromobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl]-3-methylbutanoic acid;CID 6090108;Probes1_000048;Probes1_000085;Probes2_000066;Probes2_000362;(E)-2-(5-(4-bromobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)-3-methylbutanoic acid;2-[5-(4-Bromo-benzylidene)-4-oxo-2-thioxo-thiazolidin-3-yl]-3-methyl-butyric acid;BDBM50202280;AKOS025295084;CS-5730;AC-35782;AS-55873;HY-100383;BH3I-1, >=97% (HPLC), powder, yellow;C74540;J-017769

Suppliers and Price of 5-[(4-Bromophenyl)methylene]-a-(1-methylethyl)-4-oxo-2-thioxo-3-thiazolidineacetic acid
Supply Marketing:
Business phase:
The product has achieved commercial mass production*data from LookChem market partment
Manufacturers and distributors:
  • Manufacture/Brand
  • Chemicals and raw materials
  • Packaging
  • price
  • TRC
  • BH3I-1
  • 5mg
  • $ 140.00
  • Sigma-Aldrich
  • BH3I-1 ≥97% (HPLC), powder, yellow
  • 5mg
  • $ 196.00
  • DC Chemicals
  • BH3I-1 >98%
  • 250 mg
  • $ 600.00
  • DC Chemicals
  • BH3I-1 >98%
  • 1 g
  • $ 1350.00
  • Crysdot
  • BH3I-1 98+%
  • 50mg
  • $ 257.00
  • Crysdot
  • BH3I-1 98+%
  • 100mg
  • $ 446.00
  • Crysdot
  • BH3I-1 98+%
  • 10mg
  • $ 79.00
  • ChemScene
  • BH3I-1 >98.0%
  • 2mg
  • $ 60.00
  • ChemScene
  • BH3I-1 >98.0%
  • 10mg
  • $ 150.00
  • ChemScene
  • BH3I-1 >98.0%
  • 5mg
  • $ 95.00
Total 15 raw suppliers
Chemical Property of 5-[(4-Bromophenyl)methylene]-a-(1-methylethyl)-4-oxo-2-thioxo-3-thiazolidineacetic acid
Chemical Property:
  • Boiling Point:535.2±60.0 °C(Predicted) 
  • PKA:3.39±0.10(Predicted) 
  • PSA：115.00000 
  • Density:1?+-.0.1 g/cm3(Predicted) 
  • LogP:3.69740 
  • Storage Temp.:2-8°C 
  • Solubility.:DMSO: >10 mg/mL, soluble 
  • XLogP3:4.6
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:5
  • Rotatable Bond Count:4
  • Exact Mass:398.95985
  • Heavy Atom Count:22
  • Complexity:513
Purity/Quality:

99%, *data from raw suppliers

BH3I-1 *data from reagent suppliers

Safty Information:
  • Pictogram(s):  
  • Hazard Codes:Xn 
  • Statements: 20/21/22 
  • Safety Statements: 36 
MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:
  • Canonical SMILES:CC(C)C(C(=O)O)N1C(=O)C(=CC2=CC=C(C=C2)Br)SC1=S
  • Isomeric SMILES:CC(C)C(C(=O)O)N1C(=O)/C(=C\C2=CC=C(C=C2)Br)/SC1=S
  • Description The family of Bcl-2 proteins plays pivotal roles in either promoting or preventing apoptosis. Bcl-2 family members contain one or more of four characteristic Bcl-2 homology (BH) domains, which are crucial for function. For example, anti-apoptotic Bcl-2 family proteins prevent death signaling by heterodimerizing with pro-death proteins at their BH3 domains. BH3I-1 is a cell permeable inhibitor that blocks the binding of BH3 peptides to Bcl-xL, inducing apoptosis. It inhibits interactions of BH3 domain-containing proteins with Bcl-xL, Bcl-2, and Bcl-W, inducing apoptosis in Bcl-2 or Bcl-W expressing cells with Ki values of 43.4 and 124 μM, respectively. BH3I-1 enhances radiation sensitivity in non-small cell lung cancer cells.
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