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MCI826

CAT: 0013-GTR19203574-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19203574-02Size:5 mg
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Description
MCI826 is a dual P-glycoprotein and peptide leukotriene receptor antagonist. Its anti-asthmatic efficacy has been demonstrated in a guinea pig model of advanced asthma, supporting its use in research on multidrug resistance and inflammatory airway disease mechanisms.
CAS Number
140646-80-6
Product Name Alternative
P-gp (P-glycoprotein), Pgp, P-glycoprotein, LTR, MCI 826, MCI826, MCI-826
Field of Research
Immunology & Inflammation, Neuroscience, Pharmacology & Drug Discovery
Purity
98.73% (May vary between batches)
Smiles
C (=C/C1=CC (NC (CC (C (O) =O) (CC) CC) =O) =CC=C1) \C2=NC (C (C) C) =CS2
Molecular Formula
C22H28N2O3S
Molecular Weight
400.53
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Mci 826

leukotriene D4 and E4 antagonist; inhibits late asthmatic response; structure in first source

CAS Number140646-80-6
PubChem CID6439428
IUPAC Name2,2-diethyl-4-oxo-4-[3-[(E)-2-(4-propan-2-yl-1,3-thiazol-2-yl)ethenyl]anilino]butanoic acid
Molecular FormulaC22H28N2O3S
Molecular Weight400.5
XLogP4.7
Topological Polar Surface Area108
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Heavy Atom Count28
Formal Charge0
Complexity560
SMILES
CCC(CC)(CC(=O)NC1=CC=CC(=C1)/C=C/C2=NC(=CS2)C(C)C)C(=O)O
InChI
InChI=1S/C22H28N2O3S/c1-5-22(6-2,21(26)27)13-19(25)23-17-9-7-8-16(12-17)10-11-20-24-18(14-28-20)15(3)4/h7-12,14-15H,5-6,13H2,1-4H3,(H,23,25)(H,26,27)/b11-10+
InChIKey
PGLNVMJTDKEOBE-ZHACJKMWSA-N
Chemical Structure
2D Structure
2D structure of Mci 826
CAS: 140646-80-6
CID: 6439428
Formula: C22H28N2O3S
MW: 400.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight400.5
XLogP34.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Exact Mass400.18206393
Monoisotopic Mass400.18206393
Topological Polar Surface Area108 Ų
Heavy Atom Count28
Formal Charge0
Complexity560
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

Alternative Products

CatalogName
QFA64680MCI826

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