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Lavoltidine

CAT: 0804-HY-121450-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-121450-01Size:1 mg
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Description
Lavoltidine (Loxtidine) is an an orally active, irreversible and highly potent histamine H2-receptor antagonist. Lavoltidine strongly inhibits gastric acid secretion and also induces hypergastrinemia[1].
CAS Number
76956-02-0
Product Name Alternative
Loxtidine; AH-234844
UNSPSC
12352005
Target
Histamine Receptor
Type
Reference compound
Related Pathways
GPCR/G Protein; Immunology/Inflammation; Neuronal Signaling
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/lavoltidine.html
Solubility
10 mM in DMSO
Smiles
OCC1=NN(C(NCCCOC2=CC=CC(CN3CCCCC3)=C2)=N1)C
Molecular Formula
C19H29N5O2
Molecular Weight
359.47
References & Citations
[1]Takaishi S, et al. Synergistic inhibitory effects of gastrin and histamine receptor antagonists on Helicobacter-induced gastric cancer.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
Phase 1
Isoform
H2 Receptor

Chemical Information

Loxtidine

Loxtidine is a triazole that consists of 1,2,4-triazole bearing a methyl substituent at position 1, a hydroxymethyl substituent at position 3 and a {3-[3-(piperidin-1-ylmethyl)phenoxy]propyl}amino group at position 5. A highly potent and selective H2-receptor antagonist. It has a role as a H2-receptor antagonist. It is a primary alcohol, a member of piperidines, an aromatic ether and a member of triazoles.

CAS Number76956-02-0
PubChem CID55473
IUPAC Name[1-methyl-5-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylamino]-1,2,4-triazol-3-yl]methanol
Molecular FormulaC19H29N5O2
Molecular Weight359.5
XLogP2.2
Topological Polar Surface Area75.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Heavy Atom Count26
Formal Charge0
Complexity394
SMILES
CN1C(=NC(=N1)CO)NCCCOC2=CC=CC(=C2)CN3CCCCC3
InChI
InChI=1S/C19H29N5O2/c1-23-19(21-18(15-25)22-23)20-9-6-12-26-17-8-5-7-16(13-17)14-24-10-3-2-4-11-24/h5,7-8,13,25H,2-4,6,9-12,14-15H2,1H3,(H,20,21,22)
InChIKey
VTLNPNNUIJHJQB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Loxtidine
CAS: 76956-02-0
CID: 55473
Formula: C19H29N5O2
MW: 359.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight359.5
XLogP32.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Exact Mass359.23212518
Monoisotopic Mass359.23212518
Topological Polar Surface Area75.4 Ų
Heavy Atom Count26
Formal Charge0
Complexity394
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5769277Lavoltidine
T32608Lavoltidine succinate

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