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COX/5-LO-IN-1

CAT: 0013-GTR19205490-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19205490-01Size:25 mg
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Description
COX/5-LO-IN-1 is a dual inhibitor of cyclooxygenase and 5-lipoxygenase enzymes. It is a research tool for investigating inflammatory and allergic pathways, applicable in both in vitro biochemical assays and in vivo models of inflammation.
CAS Number
154355-75-6
Field of Research
Immunology & Inflammation, Metabolism Research, Neuroscience
Smiles
C (C=1SC (C#CC (N (C (N) =O) O) C) =CC1) C2=CC=C (F) C=C2
Molecular Formula
C16H15FN2O2S
Molecular Weight
318.37
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Cox/5-LO-IN-1
CAS Number154355-75-6
PubChem CID9883481
IUPAC Name1-[4-[5-[(4-fluorophenyl)methyl]thiophen-2-yl]but-3-yn-2-yl]-1-hydroxyurea
Molecular FormulaC16H15FN2O2S
Molecular Weight318.4
XLogP2.7
Topological Polar Surface Area94.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count22
Formal Charge0
Complexity454
SMILES
CC(C#CC1=CC=C(S1)CC2=CC=C(C=C2)F)N(C(=O)N)O
InChI
InChI=1S/C16H15FN2O2S/c1-11(19(21)16(18)20)2-7-14-8-9-15(22-14)10-12-3-5-13(17)6-4-12/h3-6,8-9,11,21H,10H2,1H3,(H2,18,20)
InChIKey
MMSNEKOTSJRTRI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cox/5-LO-IN-1
CAS: 154355-75-6
CID: 9883481
Formula: C16H15FN2O2S
MW: 318.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight318.4
XLogP32.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass318.08382706
Monoisotopic Mass318.08382706
Topological Polar Surface Area94.8 Ų
Heavy Atom Count22
Formal Charge0
Complexity454
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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