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Metitepine

CAT: 0013-GTR19210015-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19210015-02Size:50 mg
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Description
Metitepine is a centrally-acting serotonin receptor antagonist with antipsychotic properties. It is utilized in neuroscience research to investigate serotonergic signaling pathways, particularly in studies related to schizophrenia, using both in vitro binding assays and in vivo behavioral models.
CAS Number
20229-30-5
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Smiles
S (C) C=1C=C2C (CC=3C (SC2=CC1) =CC=CC3) N4CCN (C) CC4
Molecular Formula
C20H24N2S2
Molecular Weight
356.55
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Methiothepin

Methiothepin is a dibenzothiepine that is 10,11-dihydrodibenzo[b,f]thiepine bearing additional methylthio and 4-methylpiperazin-1-yl substituents at positions 8 and 10 respectively. Potent 5-HT2 antagonist, also active as 5-HT1 antagonist. Differentiates 5-HT1D sub-types. Also displays affinity for rodent 5-HT5B, 5-HT5A, 5-HT7 and 5-HT6 receptors (pK1 values are 6.6, 7.0, 8.4 and 8.7 respectively). It has a role as a geroprotector, an antipsychotic agent, a serotonergic antagonist and a dopaminergic antagonist. It is an aryl sulfide, a dibenzothiepine, a N-alkylpiperazine and a tertiary amino compound. It is a conjugate base of a methiothepin(2+).

CAS Number20229-30-5
PubChem CID4106
IUPAC Name1-methyl-4-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine
Molecular FormulaC20H24N2S2
Molecular Weight356.6
XLogP4.2
Topological Polar Surface Area57.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count24
Formal Charge0
Complexity410
SMILES
CN1CCN(CC1)C2CC3=CC=CC=C3SC4=C2C=C(C=C4)SC
InChI
InChI=1S/C20H24N2S2/c1-21-9-11-22(12-10-21)18-13-15-5-3-4-6-19(15)24-20-8-7-16(23-2)14-17(18)20/h3-8,14,18H,9-13H2,1-2H3
InChIKey
RLJFTICUTYVZDG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methiothepin
CAS: 20229-30-5
CID: 4106
Formula: C20H24N2S2
MW: 356.6
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight356.6
XLogP34.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass356.13809112
Monoisotopic Mass356.13809112
Topological Polar Surface Area57.1 Ų
Heavy Atom Count24
Formal Charge0
Complexity410
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
T69988-01Metitepine

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