Products for Research Use Only

BMS-229724

CAT: 0013-GTR19195359-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19195359-02Size:50 mg
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Description
BMS-229724 is a potent and selective cytoplasmic phospholipase A2 (cPLA2) inhibitor, exhibiting anti-inflammatory activity by blocking arachidonic acid release. This small molecule is a valuable research tool for studying eicosanoid biosynthesis and inflammatory pathways in both cellular assays and animal disease models.
CAS Number
221914-85-8
Smiles
C (OCCS (CCOC1=CC=C (CCC (C (F) (F) F) =O) C=C1) (=O) =O) (C2=CC=C (Cl) C=C2) C3=CC=C (Cl) C=C3
Molecular Formula
C27H25Cl2F3O5S
Molecular Weight
589.45
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Bms-229724

a phospholipase A2 inhibitor; structure in first source

CAS Number221914-85-8
PubChem CID9851408
IUPAC Name4-[4-[2-[2-[bis(4-chlorophenyl)methoxy]ethylsulfonyl]ethoxy]phenyl]-1,1,1-trifluorobutan-2-one
Molecular FormulaC27H25Cl2F3O5S
Molecular Weight589.4
XLogP6.6
Topological Polar Surface Area78.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count13
Heavy Atom Count38
Formal Charge0
Complexity790
SMILES
C1=CC(=CC=C1CCC(=O)C(F)(F)F)OCCS(=O)(=O)CCOC(C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C27H25Cl2F3O5S/c28-22-8-4-20(5-9-22)26(21-6-10-23(29)11-7-21)37-16-18-38(34,35)17-15-36-24-12-1-19(2-13-24)3-14-25(33)27(30,31)32/h1-2,4-13,26H,3,14-18H2
InChIKey
IKQYQTPQMAIVQR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bms-229724
CAS: 221914-85-8
CID: 9851408
Formula: C27H25Cl2F3O5S
MW: 589.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight589.4
XLogP36.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count13
Exact Mass588.0751849
Monoisotopic Mass588.0751849
Topological Polar Surface Area78.1 Ų
Heavy Atom Count38
Formal Charge0
Complexity790
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes