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W-54011

CAT: 0013-GTR19177856-05Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19177856-05Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
W-54011 is a potent, non-peptide antagonist of the C5a receptor (C5aR1) . It effectively blocks C5a binding (Ki = 2.2 nM) and inhibits downstream functional responses in human neutrophils, including calcium mobilization, chemotaxis, and ROS generation. This compound is a valuable research tool for studying complement-mediated inflammation in both in vitro and in vivo models.
CAS Number
405098-33-1
Product Name Alternative
Ca2+, C5a, Ca2+ mobilization, , anaphylatoxin, Complement System, ComplementSystem, complement 5a receptor (C5aR), chemotaxis, Chemotaxis, orally, mobilization, neutrophils, inhibit, inflammatory, Inhibitor, W 54011, W54011, W-54011, Reactive Oxygen Species, ROS
Field of Research
Immunology & Inflammation, Metabolism Research, Signal Transduction
Purity
95.62% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (4.06 mM) ; DMSO:28 mg/mL (56.79 mM)
Smiles
Cl.COc1ccc2CCCC (C (=O) N (Cc3ccc (cc3) N (C) C) c3ccc (cc3) C (C) C) c2c1
Molecular Formula
C30H37ClN2O2
Molecular Weight
493.08
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

C5a Receptor Antagonist, W-54011

W54011 is potent, specific and orally active C5a receptor antagonist. It has a role as a C5a receptor antagonist and an anti-inflammatory agent.

CAS Number405098-33-1
PubChem CID5311121
IUPAC NameN-[[4-(dimethylamino)phenyl]methyl]-7-methoxy-N-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide;hydrochloride
Molecular FormulaC30H37ClN2O2
Molecular Weight493.1
Topological Polar Surface Area32.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Heavy Atom Count35
Formal Charge0
Complexity634
SMILES
CC(C)C1=CC=C(C=C1)N(CC2=CC=C(C=C2)N(C)C)C(=O)C3CCCC4=C3C=C(C=C4)OC.Cl
InChI
InChI=1S/C30H36N2O2.ClH/c1-21(2)23-11-16-26(17-12-23)32(20-22-9-14-25(15-10-22)31(3)4)30(33)28-8-6-7-24-13-18-27(34-5)19-29(24)28;/h9-19,21,28H,6-8,20H2,1-5H3;1H
InChIKey
UKBJWRMNGCDKNL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of C5a Receptor Antagonist, W-54011
CAS: 405098-33-1
CID: 5311121
Formula: C30H37ClN2O2
MW: 493.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight493.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Exact Mass492.2543561
Monoisotopic Mass492.2543561
Topological Polar Surface Area32.8 Ų
Heavy Atom Count35
Formal Charge0
Complexity634
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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