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BIIL-260 hydrochloride

CAT: 0931-T10543-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T10543-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
192581-24-1
Target
LTR, Leukotriene Receptor
Related Pathways
GPCR/G Protein, Immunology/Inflammation
Purity
0.9889
Bioactivity
BIIL-260 hydrochloride is an orally active and highly efficient leukotriene B4 (LTB4) receptor antagonist with anti-inflammatory activity. It interacts with the LTB4 receptor in a saturable, reversible, and competitive manner, inhibiting LTB4-induced intracellular Ca2+ release in human neutrophils.
Smiles
Cl.N=C(N)C1=CC=C(OCC2=CC=CC(=C2)COC3=CC=C(C=C3)C(C4=CC=C(O)C=C4)(C)C)C=C1
Molecular Formula
C30H31ClN2O3
Molecular Weight
503.03
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

BIIL-260 (hydrochloride)
CAS Number192581-24-1
PubChem CID23292598
IUPAC Name4-[[3-[[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]methyl]phenyl]methoxy]benzenecarboximidamide;hydrochloride
Molecular FormulaC30H31ClN2O3
Molecular Weight503.0
Topological Polar Surface Area88.6
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Heavy Atom Count36
Formal Charge0
Complexity644
SMILES
CC(C)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)OCC3=CC=CC(=C3)COC4=CC=C(C=C4)C(=N)N.Cl
InChI
InChI=1S/C30H30N2O3.ClH/c1-30(2,24-8-12-26(33)13-9-24)25-10-16-28(17-11-25)35-20-22-5-3-4-21(18-22)19-34-27-14-6-23(7-15-27)29(31)32;/h3-18,33H,19-20H2,1-2H3,(H3,31,32);1H
InChIKey
KYFHIWXKXUSXKB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of BIIL-260 (hydrochloride)
CAS: 192581-24-1
CID: 23292598
Formula: C30H31ClN2O3
MW: 503.0
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight503.0
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Exact Mass502.2023205
Monoisotopic Mass502.2023205
Topological Polar Surface Area88.6 Ų
Heavy Atom Count36
Formal Charge0
Complexity644
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes