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Zoniporide (dihydrochloride)

CAT: 0804-HY-105064CSize: 1 EachDry Ice: NoHazardous: No
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Description
Zoniporide dihydrochloride (CP-597396 dihydrochloride) is a potent and selective inhibitor of highly water-soluble sodium hydrogen exchange type 1 (NHE-1) . Zoniporide dihydrochloride inhibits NHE1 dependent 22Na+ uptake in vitro with an IC50 of 14 nM. Zoniporide has antitumor activity[1][2].
CAS Number
241799-10-0
Product Name Alternative
CP-597396 (dihydrochloride)
UNSPSC
12352005
Hazard Statement
H302-H315-H319-H335
Target
Na+/H+ Exchanger (NHE)
Type
Reference compound
Related Pathways
Membrane Transporter/Ion Channel
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/zoniporide-dihydrochloride.html
Solubility
10 mM in DMSO
Smiles
N=C(N)NC(C1=C(C2CC2)N(C3=C4C(N=CC=C4)=CC=C3)N=C1)=O.[H]Cl.[H]Cl
Molecular Formula
C17H18Cl2N6O
Molecular Weight
393.27
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501
References & Citations
[1]Marala RB, et al. Zoniporide: a potent and highly selective inhibitor of human Na (+) /H (+) exchanger-1. Eur J Pharmacol. 2002 Sep 6;451 (1) :37-41.|[2]Sanhueza C, et al. Sodium/proton exchanger isoform 1 regulates intracellular pH and cell proliferation in human ovarian cancer. Biochim Biophys Acta Mol Basis Dis. 2017 Jan;1863 (1) :81-91.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Zoniporide dihydrochloride
CAS Number241799-10-0
PubChem CID22267855
IUPAC Name5-cyclopropyl-N-(diaminomethylidene)-1-quinolin-5-ylpyrazole-4-carboxamide;dihydrochloride
Molecular FormulaC17H18Cl2N6O
Molecular Weight393.3
Topological Polar Surface Area112
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count26
Formal Charge0
Complexity515
SMILES
C1CC1C2=C(C=NN2C3=CC=CC4=C3C=CC=N4)C(=O)N=C(N)N.Cl.Cl
InChI
InChI=1S/C17H16N6O.2ClH/c18-17(19)22-16(24)12-9-21-23(15(12)10-6-7-10)14-5-1-4-13-11(14)3-2-8-20-13;;/h1-5,8-10H,6-7H2,(H4,18,19,22,24);2*1H
InChIKey
ARZNPJAGKWHEHT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Zoniporide dihydrochloride
CAS: 241799-10-0
CID: 22267855
Formula: C17H18Cl2N6O
MW: 393.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight393.3
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass392.0919146
Monoisotopic Mass392.0919146
Topological Polar Surface Area112 Ų
Heavy Atom Count26
Formal Charge0
Complexity515
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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