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Tagorizine

CAT: 0804-HY-119462Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-119462Size:1 Each
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Description
Tagorizine is a 5-LOX inhibitor. Tagorizine can be used to study cerebral (or peripheral) blood vessel dilation[1].
CAS Number
118420-47-6
UNSPSC
12352005
Target
Lipoxygenase
Related Pathways
Metabolic Enzyme/Protease
Applications
COVID-19-immunoregulation
Field of Research
Cardiovascular Disease; Inflammation/Immunology
Smiles
O=C(/C=C/C1=CC=C(N=C1)C)NCCCCN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4
Molecular Formula
C30H36N4O
Molecular Weight
468.63
References & Citations
[1]Ahmadi, et al. Methods using 5-lipoxygenase pathway inhibitors for treating cardiovascular diseases. WO2014031586
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
5-LOX

Chemical Information

Tagorizine

Tagorizine is a small molecule drug. The usage of the INN stem '-rizine' in the name indicates that Tagorizine is a antihistaminic/cerebral (or peripheral) vasodilator. Tagorizine has a monoisotopic molecular weight of 468.29 Da.

CAS Number118420-47-6
PubChem CID6436051
IUPAC Name(E)-N-[4-(4-benzhydrylpiperazin-1-yl)butyl]-3-(6-methyl-3-pyridinyl)prop-2-enamide
Molecular FormulaC30H36N4O
Molecular Weight468.6
XLogP4.7
Topological Polar Surface Area48.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count10
Heavy Atom Count35
Formal Charge0
Complexity614
SMILES
CC1=NC=C(C=C1)/C=C/C(=O)NCCCCN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C30H36N4O/c1-25-14-15-26(24-32-25)16-17-29(35)31-18-8-9-19-33-20-22-34(23-21-33)30(27-10-4-2-5-11-27)28-12-6-3-7-13-28/h2-7,10-17,24,30H,8-9,18-23H2,1H3,(H,31,35)/b17-16+
InChIKey
DVYCNKDRINREMB-WUKNDPDISA-N
Chemical Structure
2D Structure
2D structure of Tagorizine
CAS: 118420-47-6
CID: 6436051
Formula: C30H36N4O
MW: 468.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight468.6
XLogP34.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count10
Exact Mass468.28891178
Monoisotopic Mass468.28891178
Topological Polar Surface Area48.5 Ų
Heavy Atom Count35
Formal Charge0
Complexity614
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
GTR19193446Tagorizine

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