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Gefapixant (citrate)

CAT: 0804-HY-101588A-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-101588A-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Gefapixant citrate is an orally active and potent purinergic P2X3 receptor (P2X3R) antagonist, with IC50 values of ~30 nM versus recombinant hP2X3 homotrimers and 100-250 nM at hP2X2/3 heterotrimeric receptors. Gefapixant citrate can be used for the research of chronic cough and knee osteoarthritis[1][2][3].
CAS Number
2310299-91-1
Product Name Alternative
MK-7264 (citrate) ; AF-219 (citrate)
UNSPSC
12352005
Target
P2X Receptor
Type
Reference compound
Related Pathways
Membrane Transporter/Ion Channel
Applications
COVID-19-anti-virus
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/gefapixant-citrate.html
Purity
99.23
Solubility
DMSO : 350 mg/mL (ultrasonic)
Smiles
O=C(CC(C(O)=O)(CC(O)=O)O)O.O=S(N)(C1=C(OC)C=C(C(C)C)C(OC2=CN=C(N)N=C2N)=C1)=O
Molecular Formula
C20H27N5O11S
Molecular Weight
545.52
References & Citations
[1]Anthony P. Ford, et al. The therapeutic promise of ATP antagonism at P2X3 receptors in respiratory and urological disorders. Front Cell Neurosci. 2013; 7: 267.|[2]Ford AP, In pursuit of P2X3 antagonists: novel therapeutics for chronic pain and afferent sensitization. Purinergic Signal. 2012 Feb;8 (Suppl 1) :3-26.|[3]Martin Nguyen A, et al. Validation of a visual analog scale for assessing cough severity in patients with chronic cough. Ther Adv Respir Dis. 2021 Jan-Dec;15:17534666211049743.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
Launched
Isoform
P2X3 Receptor

Chemical Information

Gefapixant Citrate

See also: Gefapixant (has active moiety).

CAS Number2310299-91-1
PubChem CID145720531
IUPAC Name5-(2,4-diaminopyrimidin-5-yl)oxy-2-methoxy-4-propan-2-ylbenzenesulfonamide;2-hydroxypropane-1,2,3-tricarboxylic acid
Molecular FormulaC20H27N5O11S
Molecular Weight545.5
Topological Polar Surface Area297
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count16
Rotatable Bond Count10
Heavy Atom Count37
Formal Charge0
Complexity739
SMILES
CC(C)C1=CC(=C(C=C1OC2=CN=C(N=C2N)N)S(=O)(=O)N)OC.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
InChI
InChI=1S/C14H19N5O4S.C6H8O7/c1-7(2)8-4-10(22-3)12(24(17,20)21)5-9(8)23-11-6-18-14(16)19-13(11)15;7-3(8)1-6(13,5(11)12)2-4(9)10/h4-7H,1-3H3,(H2,17,20,21)(H4,15,16,18,19);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
InChIKey
AIJVJYUOMCRFOE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Gefapixant Citrate
CAS: 2310299-91-1
CID: 145720531
Formula: C20H27N5O11S
MW: 545.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight545.5
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count16
Rotatable Bond Count10
Exact Mass545.14277787
Monoisotopic Mass545.14277787
Topological Polar Surface Area297 Ų
Heavy Atom Count37
Formal Charge0
Complexity739
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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