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KF 13218

CAT: 0013-GTR19206135-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19206135-01Size:25 mg
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Description
KF 13218 is a potent and selective inhibitor of thromboxane B2 synthase, demonstrating long-lasting activity with an IC50 of 5.3±1.3 nM. This small molecule is a valuable research tool for investigating thromboxane-mediated pathways in cardiovascular disease, thrombosis, and inflammation using both in vitro and in vivo experimental models.
CAS Number
127654-03-9
Field of Research
Epigenetics & Chromatin, Immunology & Inflammation, Pharmacology & Drug Discovery
Smiles
C (\CCCCC (O) =O) =C/1\C=2C (C (=O) N (C) C=3C1=CC=CC3) =CC=NC2
Molecular Formula
C20H20N2O3
Molecular Weight
336.38
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

KF 13218

structure given in first source

CAS Number127654-03-9
PubChem CID6438522
IUPAC Name(6Z)-6-(6-methyl-5-oxopyrido[4,3-c][1]benzazepin-11-ylidene)hexanoic acid
Molecular FormulaC20H20N2O3
Molecular Weight336.4
XLogP2.5
Topological Polar Surface Area70.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count25
Formal Charge0
Complexity531
SMILES
CN1C2=CC=CC=C2/C(=C/CCCCC(=O)O)/C3=C(C1=O)C=CN=C3
InChI
InChI=1S/C20H20N2O3/c1-22-18-9-6-5-8-15(18)14(7-3-2-4-10-19(23)24)17-13-21-12-11-16(17)20(22)25/h5-9,11-13H,2-4,10H2,1H3,(H,23,24)/b14-7-
InChIKey
QFZVHDITZGTVJH-AUWJEWJLSA-N
Chemical Structure
2D Structure
2D structure of KF 13218
CAS: 127654-03-9
CID: 6438522
Formula: C20H20N2O3
MW: 336.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight336.4
XLogP32.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass336.14739250
Monoisotopic Mass336.14739250
Topological Polar Surface Area70.5 Ų
Heavy Atom Count25
Formal Charge0
Complexity531
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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