4-[2-[(1R)-1-(N-(4-chlorophenyl)sulfonyl-2,5-difluoroanilino)ethyl]-5-fluorophenyl]butanoic acid

Base Information

• Chemical Name: 4-[2-[(1R)-1-(N-(4-chlorophenyl)sulfonyl-2,5-difluoroanilino)ethyl]-5-fluorophenyl]butanoic acid
• CAS No.: 290315-45-6
• Molecular Formula: C24H21ClF3NO4S
• Molecular Weight: 511.946
• European Community (EC) Number: 694-474-1
• UNII: QK855F579S
• ChEMBL ID: CHEMBL247471
• DSSTox Substance ID: DTXSID50460039
• Nikkaji Number: J1.811.583B
• Wikidata: Q27166744
• Mol file: 290315-45-6.mol

Synonyms:4-(2-((1R)-1-(((4-chlorophenyl)sulfonyl)-2,5-difluoroanilino)ethyl)-5-fluorophenyl)butanoic acid;BMS-299897

Chemical Property of 4-[2-[(1R)-1-(N-(4-chlorophenyl)sulfonyl-2,5-difluoroanilino)ethyl]-5-fluorophenyl]butanoic acid

Chemical Property:

• Appearance/Colour: White to off-white solid
• Boiling Point: 620 °C at 760 mmHg
• PKA: 4.71±0.10(Predicted)
• Flash Point: 328.7 °C
• PSA: 83.06000
• Density: 1.421 g/cm³
• LogP: 7.20190
• Storage Temp.: Store at -20°C
• Solubility.: DMSO: ≥20mg/mL
• XLogP3: 5.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 9
• Exact Mass: 511.0831915
• Heavy Atom Count: 34
• Complexity: 775

Purity/Quality:

99%+, ^*data from raw suppliers

BMS 299897 ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C1=C(C=C(C=C1)F)CCCC(=O)O)N(C2=C(C=CC(=C2)F)F)S(=O)(=O)C3=CC=C(C=C3)Cl
• Isomeric SMILES: C[C@H](C1=C(C=C(C=C1)F)CCCC(=O)O)N(C2=C(C=CC(=C2)F)F)S(=O)(=O)C3=CC=C(C=C3)Cl
• Uses: BMS 299897 is a known γ-secretase inhibitor that effectively reduces amyloid β-peptide (Aβ) in transgenic mice and guinea pigs (1,2,3). Studies have shown the possibility of using BMS 299897 in the treatments for Alzheimer’s patients.