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Lefradafiban

CAT: 0013-GTR19197285-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19197285-01Size:1 mg
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Description
Lefradafiban (BIBU-104) is an orally active small molecule antagonist of the platelet glycoprotein IIb/IIIa receptor. It has been utilized in research models to investigate antiplatelet therapy for conditions such as angina and acute coronary syndromes, including in vitro platelet aggregation studies.
CAS Number
149503-79-7
Product Name Alternative
Glycoprotein IIb/IIIa, Lefradafiban, BIBU 104, BIBU104, BIBU-104
Purity
97.26% (May vary between batches)
Solubility
DMSO:45 mg/mL (102.4 mM)
Smiles
C (NC (OC) =O) (=N) C1=CC=C (C=C1) C2=CC=C (OC[C@@H]3C[C@@H] (CC (OC) =O) C (=O) N3) C=C2
Molecular Formula
C23H25N3O6
Molecular Weight
439.46
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Lefradafiban

Lefradafiban is a member of the class of pyrrolidin-2-ones that is pyrrolidin-2-one in which the 3-pro-S-hydrogen is substituted by a 2-methoxy-2-oxoethyl group, while the 5-pro-S-hydrogen is substituted by a ({4'-[N-(methoxycarbonyl)carbamimidoyl]biphenyl-4-yl}oxy)methyl group. It is an orally active prodrug of fradafiban, a figrinogen receptor antagonist. It has a role as a prodrug and a platelet glycoprotein-IIb/IIIa receptor antagonist. It is a methyl ester and a member of pyrrolidin-2-ones. It is functionally related to a fradafiban.

CAS Number149503-79-7
PubChem CID9576916
IUPAC Namemethyl 2-[(3S,5S)-5-[[4-[4-[(Z)-N'-methoxycarbonylcarbamimidoyl]phenyl]phenoxy]methyl]-2-oxopyrrolidin-3-yl]acetate
Molecular FormulaC23H25N3O6
Molecular Weight439.5
XLogP2.7
Topological Polar Surface Area129
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Heavy Atom Count32
Formal Charge0
Complexity696
SMILES
COC(=O)C[C@@H]1C[C@H](NC1=O)COC2=CC=C(C=C2)C3=CC=C(C=C3)/C(=N/C(=O)OC)/N
InChI
InChI=1S/C23H25N3O6/c1-30-20(27)12-17-11-18(25-22(17)28)13-32-19-9-7-15(8-10-19)14-3-5-16(6-4-14)21(24)26-23(29)31-2/h3-10,17-18H,11-13H2,1-2H3,(H,25,28)(H2,24,26,29)/t17-,18-/m0/s1
InChIKey
PGCFXITVMNNKON-ROUUACIJSA-N
Chemical Structure
2D Structure
2D structure of Lefradafiban
CAS: 149503-79-7
CID: 9576916
Formula: C23H25N3O6
MW: 439.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight439.5
XLogP32.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Exact Mass439.17433553
Monoisotopic Mass439.17433553
Topological Polar Surface Area129 Ų
Heavy Atom Count32
Formal Charge0
Complexity696
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-10308-01Lefradafiban

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