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Iromycin A

CAT: 0931-T38230-01Size: 500 µgDry Ice: NoHazardous: No
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CAT#:0931-T38230-01Size:500 µg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
213137-53-2
Target
Others, NO Synthase
Related Pathways
Immunology/Inflammation, Others
Bioactivity
Iromycin A is a bacterial pyridone metabolite that inhibits nitric oxide synthase (NOS) activity, with selectivity for NOS III (endothelial NOS) over NOS I (neuronal NOS) . Iromycin metabolites and derivatives block NADH oxidation in beef heart submitochondrial particles (IC50 = 0.461 μM for iromycin A) .
Smiles
C(/C=C(/C/C=C/C(C)C)\C)C1=C(CCC)C(O)=C(C)C(=O)N1
Molecular Formula
C19H29NO2
Molecular Weight
303.44
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Iromycin A

Iromycin A is a pyridone.

CAS Number213137-53-2
PubChem CID54732501
IUPAC Name6-[(2E,5E)-3,7-dimethylocta-2,5-dienyl]-4-hydroxy-3-methyl-5-propyl-1H-pyridin-2-one
Molecular FormulaC19H29NO2
Molecular Weight303.4
XLogP4.5
Topological Polar Surface Area49.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count7
Heavy Atom Count22
Formal Charge0
Complexity534
SMILES
CCCC1=C(NC(=O)C(=C1O)C)C/C=C(\C)/C/C=C/C(C)C
InChI
InChI=1S/C19H29NO2/c1-6-8-16-17(20-19(22)15(5)18(16)21)12-11-14(4)10-7-9-13(2)3/h7,9,11,13H,6,8,10,12H2,1-5H3,(H2,20,21,22)/b9-7+,14-11+
InChIKey
HVAVEUHAOCVIPN-DTCTWCMCSA-N
Chemical Structure
2D Structure
2D structure of Iromycin A
CAS: 213137-53-2
CID: 54732501
Formula: C19H29NO2
MW: 303.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight303.4
XLogP34.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count7
Exact Mass303.219829168
Monoisotopic Mass303.219829168
Topological Polar Surface Area49.3 Ų
Heavy Atom Count22
Formal Charge0
Complexity534
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
GL3227-1mgIromycin A

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