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Nepaprazole

CAT: 0013-GTR19196953-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19196953-02Size:50 mg
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Description
Nepaprazole (TY-11345) is a proton pump inhibitor that suppresses gastric H+/K+-ATPase activity, with greater potency under acidic conditions (IC50 5.8 μM at pH 6.0 vs. 9.9 μM at pH 7.4) . This compound is a useful research tool for investigating gastric acid secretion in biochemical and cellular assays.
CAS Number
156601-79-5
Field of Research
Pharmacology & Drug Discovery
Smiles
S (=O) ([C@]1 (C=2C (=C (OC) C=CN2) CCCC1) [H]) C=3NC=4C (N3) =CC=CC4
Molecular Formula
C18H19N3O2S
Molecular Weight
341.43
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Nepaprazole
CAS Number156601-79-5
PubChem CID10428792
IUPAC Name(9R)-9-[(S)-1H-benzimidazol-2-ylsulfinyl]-4-methoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine
Molecular FormulaC18H19N3O2S
Molecular Weight341.4
XLogP2.8
Topological Polar Surface Area87.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count24
Formal Charge0
Complexity464
SMILES
COC1=C2CCCC[C@H](C2=NC=C1)[S@](=O)C3=NC4=CC=CC=C4N3
InChI
InChI=1S/C18H19N3O2S/c1-23-15-10-11-19-17-12(15)6-2-5-9-16(17)24(22)18-20-13-7-3-4-8-14(13)21-18/h3-4,7-8,10-11,16H,2,5-6,9H2,1H3,(H,20,21)/t16-,24+/m1/s1
InChIKey
JWMQOWBYKLZSPY-GYCJOSAFSA-N
Chemical Structure
2D Structure
2D structure of Nepaprazole
CAS: 156601-79-5
CID: 10428792
Formula: C18H19N3O2S
MW: 341.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight341.4
XLogP32.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass341.11979803
Monoisotopic Mass341.11979803
Topological Polar Surface Area87.1 Ų
Heavy Atom Count24
Formal Charge0
Complexity464
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

Alternative Products

CatalogName
TRC-N390083-50MGNepaprazole
MBS5812969Nepaprazole sodium
T70135-01Nepaprazole sodium dihydrate

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