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Lagunamycin

CAT: 0013-GTR19199072-02Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19199072-02Size:100 mg
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Description
Lagunamycin is a novel small molecule inhibitor of 5-lipoxygenase (5-LOX) . This compound is utilized in biochemical research to study the leukotriene pathway and has shown inhibitory activity in both in vitro enzyme assays and cellular models of inflammation.
CAS Number
150693-65-5
Field of Research
Metabolism Research
Smiles
C (=C\[C@@H] (CC (C) C) C) (\C) /C=1C2=C (C (=O) C (=O) C (=[N+]=[N-]) C2=O) NC (=O) C1C
Molecular Formula
C19H21N3O4
Molecular Weight
355.39
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Lagunamycin

structure given in first source

CAS Number150693-65-5
PubChem CID6444405
IUPAC Name6-diazo-4-[(E)-4,6-dimethylhept-2-en-2-yl]-3-methyl-1H-quinoline-2,5,7,8-tetrone
Molecular FormulaC19H21N3O4
Molecular Weight355.4
XLogP3
Topological Polar Surface Area82.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count26
Formal Charge0
Complexity880
SMILES
CC1=C(C2=C(C(=O)C(=O)C(=[N+]=[N-])C2=O)NC1=O)/C(=C/C(C)CC(C)C)/C
InChI
InChI=1S/C19H21N3O4/c1-8(2)6-9(3)7-10(4)12-11(5)19(26)21-14-13(12)16(23)15(22-20)18(25)17(14)24/h7-9H,6H2,1-5H3,(H,21,26)/b10-7+
InChIKey
PJKDXVRDJPKOHU-JXMROGBWSA-N
Chemical Structure
2D Structure
2D structure of Lagunamycin
CAS: 150693-65-5
CID: 6444405
Formula: C19H21N3O4
MW: 355.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight355.4
XLogP33
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass355.15320616
Monoisotopic Mass355.15320616
Topological Polar Surface Area82.3 Ų
Heavy Atom Count26
Formal Charge0
Complexity880
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count1
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T25601-01Lagunamycin

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