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Moxilubant HCl

CAT: 0013-GTR19213666-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19213666-01Size:1 mg
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Description
Moxilubant HCl is a selective LTB4 receptor 1 antagonist used in research for inflammatory conditions. It is applied in preclinical studies of psoriasis and rheumatoid arthritis, where it has been shown to inhibit neutrophil chemotaxis in both in vitro and in vivo experimental models.
CAS Number
146957-32-6
Product Name Alternative
Moxilubant HCl, Moxilubant hcl (146978-48-5 Free base), LTB4
Field of Research
Immunology & Inflammation, Pharmacology & Drug Discovery
Purity
99.19% (May vary between batches)
Solubility
DMSO:50 mg/mL (101.62 mM)
Smiles
Cl.O=C (C1=CC=C (OCCCCCOC2=CC=C (C=C2) C (=N) N) C (OC) =C1) N (C (C) C) C (C) C
Molecular Formula
C26H38ClN3O4
Molecular Weight
492.05
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Moxilubant HCl
CAS Number146957-32-6
PubChem CID57507964
IUPAC Name4-[5-(4-carbamimidoylphenoxy)pentoxy]-3-methoxy-N,N-di(propan-2-yl)benzamide;hydrochloride
Molecular FormulaC26H38ClN3O4
Molecular Weight492.0
Topological Polar Surface Area97.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count13
Heavy Atom Count34
Formal Charge0
Complexity582
SMILES
CC(C)N(C(C)C)C(=O)C1=CC(=C(C=C1)OCCCCCOC2=CC=C(C=C2)C(=N)N)OC.Cl
InChI
InChI=1S/C26H37N3O4.ClH/c1-18(2)29(19(3)4)26(30)21-11-14-23(24(17-21)31-5)33-16-8-6-7-15-32-22-12-9-20(10-13-22)25(27)28;/h9-14,17-19H,6-8,15-16H2,1-5H3,(H3,27,28);1H
InChIKey
KGGKWACNSRKUGL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Moxilubant HCl
CAS: 146957-32-6
CID: 57507964
Formula: C26H38ClN3O4
MW: 492.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight492.0
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count13
Exact Mass491.2550844
Monoisotopic Mass491.2550844
Topological Polar Surface Area97.9 Ų
Heavy Atom Count34
Formal Charge0
Complexity582
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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