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(±) -Tazifylline

CAT: 0931-T10000-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T10000-01Size:1 mg
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CAS Number
79712-55-3
Target
Histamine Receptor
Related Pathways
Immunology/Inflammation, GPCR/G Protein, Neuroscience
Purity
0.9954
Bioactivity
(±) -Tazifylline is a selective and long-acting antagonist of histamine H1 receptor. Tazifylline shows much lower affinity for H2 receptors, α- and β-adrenoceptors, 5-hydroxytryptamine and muscarinic receptor subtypes.
Smiles
C(C(CN1CCN(CCCSC2=CC=CC=C2)CC1)O)N3C4=C(N=C3)N(C)C(=O)N(C)C4=O
Molecular Formula
C23H32N6O3S
Molecular Weight
472.6
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Tazifylline

See also: Tazifylline Hydrochloride (active moiety of).

CAS Number79712-55-3
PubChem CID54424
IUPAC Name7-[2-hydroxy-3-[4-(3-phenylsulfanylpropyl)piperazin-1-yl]propyl]-1,3-dimethylpurine-2,6-dione
Molecular FormulaC23H32N6O3S
Molecular Weight472.6
XLogP1.3
Topological Polar Surface Area110
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Heavy Atom Count33
Formal Charge0
Complexity671
SMILES
CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CN3CCN(CC3)CCCSC4=CC=CC=C4)O
InChI
InChI=1S/C23H32N6O3S/c1-25-21-20(22(31)26(2)23(25)32)29(17-24-21)16-18(30)15-28-12-10-27(11-13-28)9-6-14-33-19-7-4-3-5-8-19/h3-5,7-8,17-18,30H,6,9-16H2,1-2H3
InChIKey
JTOUASWUIMAMAD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tazifylline
CAS: 79712-55-3
CID: 54424
Formula: C23H32N6O3S
MW: 472.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight472.6
XLogP31.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Exact Mass472.22566008
Monoisotopic Mass472.22566008
Topological Polar Surface Area110 Ų
Heavy Atom Count33
Formal Charge0
Complexity671
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5765833(+/-)-Tazifylline
BUP14297-01(±) -Tazifylline
M26008-01Tazifylline

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