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Thiethylperazine

CAT: 0931-T61915-02Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0931-T61915-02Size:2 mg
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CAS Number
1420-55-9
Target
ABC Transporter, Dopamine Receptor, Histamine Receptor, Beta Amyloid, Antibacterial
Related Pathways
Immunology/Inflammation, Membrane transporter/Ion channel, Neuroscience, GPCR/G Protein, Microbiology/Virology
Purity
0.9872
Bioactivity
Thiethylperazine (Tietilperazina) is an orally available, highly potent D2 receptor and H1 receptor antagonist and selective ABCC1 activator with antimicrobial and antiemetic activity that reduces amyloid β (Aβ) load in mice, is used to relieve vertigo, and can be used in studies of neurological diseases such as Alzheimer's disease and Parkinson's disease. Alzheimer's and Parkinson's diseases.
Smiles
CCSc1ccc2Sc3ccccc3N(CCCN3CCN(C)CC3)c2c1
Molecular Formula
C22H29N3S2
Molecular Weight
399.62
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Thiethylperazine

Thiethylperazine is a member of the class of phenothiazines that is perazine substituted by a ethylsulfanyl group at position 2. It has a role as a phenothiazine antipsychotic drug, a histamine antagonist, a serotonergic antagonist, a dopaminergic antagonist, a muscarinic antagonist and an antiemetic. It is a member of phenothiazines and a N-methylpiperazine. It is functionally related to a perazine.

CAS Number1420-55-9
PubChem CID5440
IUPAC Name2-ethylsulfanyl-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine
Molecular FormulaC22H29N3S2
Molecular Weight399.6
XLogP5.4
Topological Polar Surface Area60.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count27
Formal Charge0
Complexity455
SMILES
CCSC1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCN4CCN(CC4)C
InChI
InChI=1S/C22H29N3S2/c1-3-26-18-9-10-22-20(17-18)25(19-7-4-5-8-21(19)27-22)12-6-11-24-15-13-23(2)14-16-24/h4-5,7-10,17H,3,6,11-16H2,1-2H3
InChIKey
XCTYLCDETUVOIP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Thiethylperazine
CAS: 1420-55-9
CID: 5440
Formula: C22H29N3S2
MW: 399.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight399.6
XLogP35.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass399.18029028
Monoisotopic Mass399.18029028
Topological Polar Surface Area60.3 Ų
Heavy Atom Count27
Formal Charge0
Complexity455
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