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Ilaprazole (sodium) (Standard)

CAT: 0804-HY-B2145R-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-B2145R-01Size:5 mg
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Description
Ilaprazole (sodium) (Standard) is the analytical standard of Ilaprazole (sodium) . This product is intended for research and analytical applications. Ilaprazole (IY-81149) sodium is an orally active proton pump inhibitor. Ilaprazole sodium irreversibly inhibits H+/K+-ATPase in a dose-dependent manner with an IC50 of 6 μM in rabbit parietal cell preparation. Ilaprazole sodium is used for the research of gastric ulcers. Ilaprazole sodium is also a potent TOPK (T-lymphokine-activated killer cell-originated protein kinase) inhibitor[1][2].
CAS Number
172152-50-0
UNSPSC
12352100
Target
Proton Pump; Reference Standards; TOPK
Related Pathways
Cell Cycle/DNA Damage; Membrane Transporter/Ion Channel; Others
Field of Research
Cancer; Inflammation/Immunology
Smiles
O=S(C1=NC2=CC=C(N3C=CC=C3)C=C2[N-]1)CC4=NC=CC(OC)=C4C.[Na+]
Molecular Formula
C19H17N4NaO2S
Molecular Weight
388.42
References & Citations
[1]Kwon D, et al. Effects of IY-81149, a newly developed proton pump inhibitor, on gastric acid secretion in vitro and in vivo. Arzneimittelforschung. 2001;51 (3) :204-213.|[2]Zheng M, et al. Proton pump inhibitor ilaprazole suppresses cancer growth by targeting T-cell-originated protein kinase. Oncotarget. 2017;8 (24) :39143-39153.
Shipping Conditions
Room temperature
Scientific Category
Reference Standards

Chemical Information

Ilaprazole sodium
CAS Number172152-50-0
PubChem CID121595900
IUPAC Namesodium 2-[(4-methoxy-3-methyl-2-pyridinyl)methylsulfinyl]-5-pyrrol-1-ylbenzimidazol-3-ide
Molecular FormulaC19H17N4NaO2S
Molecular Weight388.4
Topological Polar Surface Area77.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count27
Formal Charge0
Complexity508
SMILES
CC1=C(C=CN=C1CS(=O)C2=NC3=C([N-]2)C=C(C=C3)N4C=CC=C4)OC.[Na+]
InChI
InChI=1S/C19H17N4O2S.Na/c1-13-17(20-8-7-18(13)25-2)12-26(24)19-21-15-6-5-14(11-16(15)22-19)23-9-3-4-10-23;/h3-11H,12H2,1-2H3;/q-1;+1
InChIKey
ZQGDDMFDBZPGCD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ilaprazole sodium
CAS: 172152-50-0
CID: 121595900
Formula: C19H17N4NaO2S
MW: 388.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight388.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass388.09699125
Monoisotopic Mass388.09699125
Topological Polar Surface Area77.2 Ų
Heavy Atom Count27
Formal Charge0
Complexity508
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

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