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Tenatoprazole (sodium)

CAT: 0804-HY-17421ASize: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-17421ASize:1 Each
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Description
Tenatoprazole sodium (TU-199 sodium) is a proton pump inhibitor; inhibits hog gastric H+/K+-ATPase with an IC50 of 6.2 μM.
CAS Number
335299-59-7
Product Name Alternative
TU-199 (sodium)
UNSPSC
12352005
Hazard Statement
H302-H315-H319-H335
Target
Proton Pump
Type
Reference compound
Related Pathways
Membrane Transporter/Ion Channel
Applications
Neuroscience-Neuromodulation
Field of Research
Cardiovascular Disease
Assay Protocol
https://www.medchemexpress.com/Tenatoprazole_sodium.html
Solubility
10 mM in DMSO
Smiles
O=S(C1=NC2=CC=C(OC)N=C2[N-]1)CC3=NC=C(C)C(OC)=C3C.[Na+]
Molecular Formula
C16H17N4NaO3S
Molecular Weight
368.39
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
References & Citations
[1]Shin JM, et al. Characterization of the inhibitory activity of tenatoprazole on the gastric H+, K+ -ATPase in vitro and in vivo. Biochem Pharmacol. 2006 Mar 14;71 (6) :837-49.|[2]https://www.ncbi.nlm.nih.gov/pubmed/16405921
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Tenatoprazole sodium salt
CAS Number335299-59-7
PubChem CID67268475
Molecular FormulaC16H18N4NaO3S
Molecular Weight369.4
Topological Polar Surface Area109
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count25
Formal Charge0
Complexity455
SMILES
CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C(N2)C=CC(=N3)OC.[Na]
InChI
InChI=1S/C16H18N4O3S.Na/c1-9-7-17-12(10(2)14(9)23-4)8-24(21)16-18-11-5-6-13(22-3)19-15(11)20-16;/h5-7H,8H2,1-4H3,(H,18,19,20);
InChIKey
QQTLYVVABYKLLQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tenatoprazole sodium salt
CAS: 335299-59-7
CID: 67268475
Formula: C16H18N4NaO3S
MW: 369.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight369.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass369.09973090
Monoisotopic Mass369.09973090
Topological Polar Surface Area109 Ų
Heavy Atom Count25
Formal Charge0
Complexity455
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes