Products for Research Use Only
RegisterLogin

P2X3 antagonist 38

CAT: 0931-T79115-01Size: 25 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-T79115-01Size:25 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
2545974-71-6
Target
P2X Receptor
Related Pathways
Neuroscience, Membrane transporter/Ion channel
Bioactivity
Compound 38, also known as Compound 4, is a potent, orally active P2X3 antagonist that demonstrates inhibitory activity with IC50 values of 0.132 μM, 0.165 μM, and 0.421 μM against human (hP2X3), rat (rP2X3), and guinea pig (gpP2X3) P2X3 receptors, respectively [1].
Smiles
N(C(OCC)=O)(C)[C@@H]1C(=NN(C(N[C@H](C)C=2C=NC(C(F)(F)F)=NC2)=O)C1)C3=CC=C(C)C=C3
Molecular Formula
C22H25F3N6O3
Molecular Weight
478.47
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

P2X3 antagonist 38
CAS Number2545974-71-6
PubChem CID155673399
IUPAC Nameethyl N-methyl-N-[(4S)-5-(4-methylphenyl)-2-[[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]carbamoyl]-3,4-dihydropyrazol-4-yl]carbamate
Molecular FormulaC22H25F3N6O3
Molecular Weight478.5
XLogP2.9
Topological Polar Surface Area100
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Heavy Atom Count34
Formal Charge0
Complexity749
SMILES
CCOC(=O)N(C)[C@H]1CN(N=C1C2=CC=C(C=C2)C)C(=O)N[C@H](C)C3=CN=C(N=C3)C(F)(F)F
InChI
InChI=1S/C22H25F3N6O3/c1-5-34-21(33)30(4)17-12-31(29-18(17)15-8-6-13(2)7-9-15)20(32)28-14(3)16-10-26-19(27-11-16)22(23,24)25/h6-11,14,17H,5,12H2,1-4H3,(H,28,32)/t14-,17+/m1/s1
InChIKey
YWXUUAFSFJYNHA-PBHICJAKSA-N
Chemical Structure
2D Structure
2D structure of P2X3 antagonist 38
CAS: 2545974-71-6
CID: 155673399
Formula: C22H25F3N6O3
MW: 478.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight478.5
XLogP32.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Exact Mass478.19402317
Monoisotopic Mass478.19402317
Topological Polar Surface Area100 Ų
Heavy Atom Count34
Formal Charge0
Complexity749
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

Related Products

CatalogName
T89459-01P2X3 antagonist 39
T63197-01P2X3 antagonist 36
T10560-01P2X3 antagonist 34
T62400-01P2X3 antagonist 37
T78606-01P2X3-IN-1
T205694-01P2X4 antagonist-3
T87087-01P2X4 antagonist-2
T87086-01P2X4 antagonist-1
T204441-01P2X4 antagonist-4
T62488-01P2X7 receptor antagonist-1

Alternative Products

CatalogName
HY-153710P2X3 antagonist 38
MBS5805871P2X3 antagonist 36
HY-143576P2X3 antagonist 37
HY-161914P2X3 antagonist 39
HY-135976-01P2X3 antagonist 34
217162AF353 (P2X3 Purinergic Receptor Antagonist, AF353, P2X2/3 Purinergic Receptor Antagonist, AF353)
217136A317491 ((S) -5- ((3-phenoxybenzyl) (1,2,3,4-tetrahydronaphthalen-1-yl) carbamoyl) benzene-1,2,4-tricarboxylic Acid, P2X3 Purinergic Receptors Antagonist, A317491, P2X2/3 Purinergic Receptors Antagonist, A317491, A 317491) discontinued
RA10109P2X3
70R-13809P2X3 antibody
346811-01P2X3 discontinued

Popular Products