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GW 766994

CAT: 0804-HY-107051-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-107051-01Size:5 mg
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Description
GW 766994 (GW 994) is an orally active and specific chemokine receptor-3 (CCR3) antagonist. GW 766994 has the potential for asthma and eosinophilic bronchitis research[1][2].
CAS Number
408303-43-5
Product Name Alternative
GW 994
UNSPSC
12352005
Target
CCR
Type
Reference compound
Related Pathways
GPCR/G Protein; Immunology/Inflammation
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology; Endocrinology
Assay Protocol
https://www.medchemexpress.com/GW_766994.html
Concentration
10mM
Purity
98.77
Solubility
DMSO : 56 mg/mL (ultrasonic)
Smiles
NC(C(C=C1)=CC=C1CNC(NC[C@H](OCC2)CN2CC3=CC(Cl)=C(Cl)C=C3)=O)=O
Molecular Formula
C21H24Cl2N4O3
Molecular Weight
451.35
References & Citations
[1]Neighbour H, et al. Safety and efficacy of an oral CCR3 antagonist in patients with asthma and eosinophilic bronchitis: a randomized, placebo-controlled clinical trial. Clin Exp Allergy. 2014 Apr;44 (4) :508-16.|[2]Zhu C, et al. Targeting CCR3 to Reduce Amyloid-β Production, Tau Hyperphosphorylation, and Synaptic Loss in a Mouse Model of Alzheimer's Disease. Mol Neurobiol. 2017 Dec;54 (10) :7964-7978.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
Phase 2
Isoform
CCR3

Chemical Information

GW-766994

a CCR3 receptor antagonist

CAS Number408303-43-5
PubChem CID10218765
IUPAC Name4-[[[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methylcarbamoylamino]methyl]benzamide
Molecular FormulaC21H24Cl2N4O3
Molecular Weight451.3
XLogP2.2
Topological Polar Surface Area96.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count30
Formal Charge0
Complexity574
SMILES
C1CO[C@H](CN1CC2=CC(=C(C=C2)Cl)Cl)CNC(=O)NCC3=CC=C(C=C3)C(=O)N
InChI
InChI=1S/C21H24Cl2N4O3/c22-18-6-3-15(9-19(18)23)12-27-7-8-30-17(13-27)11-26-21(29)25-10-14-1-4-16(5-2-14)20(24)28/h1-6,9,17H,7-8,10-13H2,(H2,24,28)(H2,25,26,29)/t17-/m0/s1
InChIKey
GPLUUMAKBFSDIE-KRWDZBQOSA-N
Chemical Structure
2D Structure
2D structure of GW-766994
CAS: 408303-43-5
CID: 10218765
Formula: C21H24Cl2N4O3
MW: 451.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight451.3
XLogP32.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass450.1225460
Monoisotopic Mass450.1225460
Topological Polar Surface Area96.7 Ų
Heavy Atom Count30
Formal Charge0
Complexity574
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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