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KF15766

CAT: 0013-GTR19237827-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19237827-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
KF15766 (Compound 34E) is an orally bioavailable small molecule that acts as a dual antagonist of the thromboxane A2 (TXA2) and histamine H1 receptors, with respective binding affinities (Ki) of 740 nM and 20 nM. It is a research tool used in preclinical in vitro and in vivo studies investigating allergic and inflammatory pathways.
CAS Number
124907-44-4
Smiles
C (=C/C (O) =O) \C (O) =O.C (\CN1CCC (CC2=CC=CC=C2) CC1) =C\3/C=4C (OCC=5C3=CC=CC5) =CC=C (CC (O) =O) C4
Molecular Formula
C30H31NO3.1/2C4H4O4
Molecular Weight
511.62
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-[(11E)-11-[2-(4-benzylpiperidin-1-yl)ethylidene]-6H-benzo[c][1]benzoxepin-2-yl]acetic acid;(E)-but-2-enedioic acid
CAS Number124907-44-4
PubChem CID9937935
IUPAC Name2-[(11E)-11-[2-(4-benzylpiperidin-1-yl)ethylidene]-6H-benzo[c][1]benzoxepin-2-yl]acetic acid;(E)-but-2-enedioic acid
Molecular FormulaC34H35NO7
Molecular Weight569.6
Topological Polar Surface Area124
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Heavy Atom Count42
Formal Charge0
Complexity810
SMILES
C1CN(CCC1CC2=CC=CC=C2)C/C=C/3\C4=CC=CC=C4COC5=C3C=C(C=C5)CC(=O)O.C(=C/C(=O)O)\C(=O)O
InChI
InChI=1S/C30H31NO3.C4H4O4/c32-30(33)20-24-10-11-29-28(19-24)27(26-9-5-4-8-25(26)21-34-29)14-17-31-15-12-23(13-16-31)18-22-6-2-1-3-7-22;5-3(6)1-2-4(7)8/h1-11,14,19,23H,12-13,15-18,20-21H2,(H,32,33);1-2H,(H,5,6)(H,7,8)/b27-14+;2-1+
InChIKey
JPOAJUIYXZMZQI-APRATUIESA-N
Chemical Structure
2D Structure
2D structure of 2-[(11E)-11-[2-(4-benzylpiperidin-1-yl)ethylidene]-6H-benzo[c][1]benzoxepin-2-yl]acetic acid;(E)-but-2-enedioic acid
CAS: 124907-44-4
CID: 9937935
Formula: C34H35NO7
MW: 569.6
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight569.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Exact Mass569.24135246
Monoisotopic Mass569.24135246
Topological Polar Surface Area124 Ų
Heavy Atom Count42
Formal Charge0
Complexity810
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T89515-01KF15766

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