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BMS 299897

CAT: 0607-A4400-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0607-A4400-50Size:50 mg
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Description
γ--secretase inhibitor, potent and orally active
CAS Number
290315-45-6
Product Name Alternative
4-[2-[(1R)-1-(N-(4-chlorophenyl)sulfonyl-2,5-difluoroanilino)ethyl]-5-fluorophenyl]butanoic acid
Field of Research
Proteases Gamma Secretase
Purity
0.98
Form
White solid
Solubility
Soluble in DMSO
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
Molecular Formula
C24H21ClF3NO4S
Molecular Weight
511.94
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

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

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

CAS Number290315-45-6
PubChem CID11249248
IUPAC Name4-[2-[(1R)-1-(N-(4-chlorophenyl)sulfonyl-2,5-difluoroanilino)ethyl]-5-fluorophenyl]butanoic acid
Molecular FormulaC24H21ClF3NO4S
Molecular Weight511.9
XLogP5.6
Topological Polar Surface Area83.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Heavy Atom Count34
Formal Charge0
Complexity775
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
InChI
InChI=1S/C24H21ClF3NO4S/c1-15(21-11-7-18(26)13-16(21)3-2-4-24(30)31)29(23-14-19(27)8-12-22(23)28)34(32,33)20-9-5-17(25)6-10-20/h5-15H,2-4H2,1H3,(H,30,31)/t15-/m1/s1
InChIKey
IZAOBRWCUGOKNH-OAHLLOKOSA-N
Chemical Structure
2D Structure
2D structure of 4-(2-((1R)-1-(((4-chlorophenyl)sulfonyl)-2,5-difluoroanilino)ethyl)-5-fluorophenyl)butanoic acid
CAS: 290315-45-6
CID: 11249248
Formula: C24H21ClF3NO4S
MW: 511.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight511.9
XLogP35.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Exact Mass511.0831915
Monoisotopic Mass511.0831915
Topological Polar Surface Area83.1 Ų
Heavy Atom Count34
Formal Charge0
Complexity775
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
9606-25BMS-299897
sc-358829BMS 299897
A12444-50BMS 299897 50mg
A12444-5BMS 299897 5mg
A12444-25BMS 299897 25mg
A12444-100BMS 299897 100mg
A12444-10BMS 299897 10mg
B2243-5EZSolution™ BMS-299897, Sterile-filtered
A12444-10mM-DBMS 299897 10mM * 1mL in DMSO
217226BMS 299897, gamma-Secretase Inhibitor XXIV (4- (2- ((1R) -1- (((4-Chlorophenyl) sulfonyl) -2,5-difluoroanilino) ethyl) -5-fluorophenyl) butanoic Acid, BMS-299897, BMS 299897)

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