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Eliapixant

CAT: 0013-GTR19164759-05Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19164759-05Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Eliapixant
CAS Number
1948229-21-7
Product Name Alternative
BAY1817080, BAY-1817080, BAY 1817080, cough, chronic, inhibit, Inhibitor, Eliapixant, refractory, P2X Receptor, P2X3, P2XRs, P2XReceptor
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Purity
98.65% (May vary between batches)
Solubility
DMSO:30 mg/mL (62.7 mM) ;10% DMSO+90% Corn Oil:2 mg/mL (4.18 mM)
Smiles
C[C@@H] (NC (=O) c1cc (O[C@@H]2CCOC2) cc (c1) -c1ncc (C) s1) c1cnc (nc1) C (F) (F) F
Molecular Formula
C22H21F3N4O3S
Molecular Weight
478.49
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Eliapixant

Eliapixant is a small molecule drug. The usage of the INN stem '-pixant' in the name indicates that Eliapixant is a purinoreceptor (P2X) antagonist. Eliapixant is under investigation in clinical trial NCT04614246 (Study to Gather Information How Well Three Different Doses of BAY1817080 Given Twice Daily Over 12 Weeks Work in Comparison to an Inactive Pill (Placebo) and Elagolix in Women Suffering From Pain Related to a Condition Where the Tissue That Usually Grows Inside the Womb Grows Outside of the Womb). Eliapixant has a monoisotopic molecular weight of 478.13 Da.

CAS Number1948229-21-7
PubChem CID121397587
IUPAC Name3-(5-methyl-1,3-thiazol-2-yl)-5-[(3R)-oxolan-3-yl]oxy-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]benzamide
Molecular FormulaC22H21F3N4O3S
Molecular Weight478.5
XLogP3.4
Topological Polar Surface Area114
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count6
Heavy Atom Count33
Formal Charge0
Complexity665
SMILES
CC1=CN=C(S1)C2=CC(=CC(=C2)O[C@@H]3CCOC3)C(=O)N[C@H](C)C4=CN=C(N=C4)C(F)(F)F
InChI
InChI=1S/C22H21F3N4O3S/c1-12-8-26-20(33-12)15-5-14(6-18(7-15)32-17-3-4-31-11-17)19(30)29-13(2)16-9-27-21(28-10-16)22(23,24)25/h5-10,13,17H,3-4,11H2,1-2H3,(H,29,30)/t13-,17-/m1/s1
InChIKey
GTQPEQGDLVSFJO-CXAGYDPISA-N
Chemical Structure
2D Structure
2D structure of Eliapixant
CAS: 1948229-21-7
CID: 121397587
Formula: C22H21F3N4O3S
MW: 478.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight478.5
XLogP33.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count6
Exact Mass478.12864620
Monoisotopic Mass478.12864620
Topological Polar Surface Area114 Ų
Heavy Atom Count33
Formal Charge0
Complexity665
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
M28734-01Eliapixant

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