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INOS-IN-2

CAT: 0013-GTR19185729-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19185729-01Size:25 mg
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Description
INOS-IN-2 (Compound 53) is a potent down-regulator of inducible nitric oxide synthase (iNOS), effectively inhibiting nitric oxide production with an IC50 of 6.4 μM. This small molecule inhibitor is a useful research tool for studying iNOS-mediated pathways in models of chronic inflammation, applicable in both in vitro and in vivo experimental settings.
CAS Number
2419891-42-0
Field of Research
Immunology & Inflammation
Smiles
O (C) C1=C (C (/C=C/C2=CC (OC) =C (OCCCN3CCOCC3) C=C2) =O) C (O) =CC (OC) =C1
Molecular Formula
C25H31NO7
Molecular Weight
457.52
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

iNOS-IN-2
CAS Number2419891-42-0
PubChem CID162671291
IUPAC Name(E)-1-(2-hydroxy-4,6-dimethoxyphenyl)-3-[3-methoxy-4-(3-morpholin-4-ylpropoxy)phenyl]prop-2-en-1-one
Molecular FormulaC25H31NO7
Molecular Weight457.5
XLogP3.8
Topological Polar Surface Area86.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count11
Heavy Atom Count33
Formal Charge0
Complexity610
SMILES
COC1=CC(=C(C(=C1)OC)C(=O)/C=C/C2=CC(=C(C=C2)OCCCN3CCOCC3)OC)O
InChI
InChI=1S/C25H31NO7/c1-29-19-16-21(28)25(24(17-19)31-3)20(27)7-5-18-6-8-22(23(15-18)30-2)33-12-4-9-26-10-13-32-14-11-26/h5-8,15-17,28H,4,9-14H2,1-3H3/b7-5+
InChIKey
GIYFOHBNNQFOMK-FNORWQNLSA-N
Chemical Structure
2D Structure
2D structure of iNOS-IN-2
CAS: 2419891-42-0
CID: 162671291
Formula: C25H31NO7
MW: 457.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight457.5
XLogP33.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count11
Exact Mass457.21005233
Monoisotopic Mass457.21005233
Topological Polar Surface Area86.7 Ų
Heavy Atom Count33
Formal Charge0
Complexity610
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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Alternative Products

CatalogName
MBS5805527iNOS-IN-2
I0800-14FInducible Nitric Oxide Synthase (iNOS, iNOS 2, mNOS)
524425-01INOS
HY-161513INOS/COX-2-IN-1

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