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CP-105696

CAT: 0013-GTR19203476-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19203476-01Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
CP-105696 is a potent and selective antagonist of the leukotriene B4 (LTB4) receptor. It is a valuable research tool for investigating the role of LTB4 in inflammatory processes, including studies of allograft rejection in both in vitro and in vivo experimental models.
CAS Number
158081-99-3
Product Name Alternative
CP-105696, CP105696, CP 105696, plusmn, LTB4, Pfizer 105696
Field of Research
Immunology & Inflammation, Pharmacology & Drug Discovery
Purity
99.78% (May vary between batches)
Solubility
DMSO:80 mg/mL (186.69 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:3.3 mg/mL (7.7 mM)
Smiles
O[C@@H]1[C@@H] (Cc2ccc (cc2) -c2ccccc2) COc2cc (ccc12) C1 (CCCC1) C (O) =O
Molecular Formula
C28H28O4
Molecular Weight
428.52
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

CP-105696
CAS Number158081-99-3
PubChem CID9867257
IUPAC Name1-[(3S,4R)-4-hydroxy-3-[(4-phenylphenyl)methyl]-3,4-dihydro-2H-chromen-7-yl]cyclopentane-1-carboxylic acid
Molecular FormulaC28H28O4
Molecular Weight428.5
XLogP5.5
Topological Polar Surface Area66.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count32
Formal Charge0
Complexity627
SMILES
C1CCC(C1)(C2=CC3=C(C=C2)[C@@H]([C@H](CO3)CC4=CC=C(C=C4)C5=CC=CC=C5)O)C(=O)O
InChI
InChI=1S/C28H28O4/c29-26-22(16-19-8-10-21(11-9-19)20-6-2-1-3-7-20)18-32-25-17-23(12-13-24(25)26)28(27(30)31)14-4-5-15-28/h1-3,6-13,17,22,26,29H,4-5,14-16,18H2,(H,30,31)/t22-,26+/m0/s1
InChIKey
KMNLXCBYBKHKSK-BKMJKUGQSA-N
Chemical Structure
2D Structure
2D structure of CP-105696
CAS: 158081-99-3
CID: 9867257
Formula: C28H28O4
MW: 428.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight428.5
XLogP35.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass428.19875937
Monoisotopic Mass428.19875937
Topological Polar Surface Area66.8 Ų
Heavy Atom Count32
Formal Charge0
Complexity627
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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