Methiothepin
Grundinformationen
- CAS
20229-30-5- Standard-SMILES
CSc1ccc2c(c1)C(N1CCN(C)CC1)Cc1ccccc1S2- InChIKey
RLJFTICUTYVZDG-UHFFFAOYSA-N- Summenformel
- C20H24N2S2
- Durchschnittliche Molmasse
- 356,6 g/mol
- Monoisotopische Masse
- 356,13809112
Überblick
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+).
Namen und Bezeichner
- Bevorzugter Name
- Methiothepin
- IUPAC
- 1-methyl-4-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine
- Englischer Name
- Methiothepin maleate
- Summenformel
- C20H24N2S2
- Molmasse
- 356.55
Namen und Synonyme
methiothepinMetitepine20229-30-5MetitepinaMetitepinumMethiotepinDTXSID2044000Ro-8-6837Maleate, Methiothepin(+-)-8-Methylthio-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin(+-)-1-(10,11-Dihydro-8-(methylthio)dibenzo(b,f)thiepin-10-yl)-4-methylpiperazine(+-)-10-(4-Methylpiperazinyl)-8-(methylthio)-10,11-dihydrodibenzo(b,f)thiepin
Weitere Namen anzeigen
MethiothepineMETITEPINE MESYLATEMethiothepin maleateMETHIOTHEPIN MESYLATE8-Methylthio-10-(4-methylpiperazino)-10,11-dihydrodibenzo[b,f]thiepinedibenzo(b,f)thiepin,10,11-dihydro-10-(4-methylpiperazinyl)-8-(methylthio)-(
55D94103HLNSC-759875Ro 8-6837DTXCID0024000CHEBI:642031-methyl-4-[8-(methylsulfanyl)-10,11-dihydrodibenzo[b,f]thiepin-10-yl]piperazinePiperazine, 1-(10,11-dihydro-8-(methylthio)dibenzo(b,f)thiepin-10-yl)-4-methyl-Piperazine, 1-[10,11-dihydro-8-(methylthio)dibenzo[b,f]thiepin-10-yl]-4-methyl-
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 4,2
- Polarare Oberfläche (TPSA)
- 57,1 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 24
- Formalladung
- 0
- Komplexität
- 410
Experimentelle und physikochemische Eigenschaften
Collision Cross Section185.51 Ų [M+Na]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Physikochemische Eigenschaften
- Schmelzpunkt
- 88 · 88-89°
- Siedepunkt
- 462.9 · 462.9±45.0 °C(Predicted)
- Dichte
- 1.25 · 1.25±0.1 g/cm3(Predicted)
- storage temp.
- Store at RT
- Löslichkeit
- 2 O: · H2O: 13 mg/mL
- Aggregatzustand
- solid
- pka
- 7.95 · 7.95±0.42(Predicted)
- Farbe
- white
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 29 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Sicherheitsdaten
- wgk
- 3
Chemie und Industrie
Pharmakologische Informationen
MeSH Pharmacological Classification
Drugs that bind to but do not activate serotonin receptors, thereby blocking the actions of serotonin or SEROTONIN RECEPTOR AGONISTS.
Agents that control agitated psychotic behavior, alleviate acute psychotic states, reduce psychotic symptoms, and exert a quieting effect. They are used in SCHIZOPHRENIA; senile dementia; transient psychosis following surgery; or MYOCARDIAL INFARCTION; etc. These drugs are often referred to as neuroleptics alluding to the tendency to produce neurological side effects, but not all antipsychotics are likely to produce such effects. Many of these drugs may also be effective against nausea, emesis, and pruritus.
Anwendungen
Verwenden5HT1&2 receptor antagonist
Anbieter8 Anbieter
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
上海陶素生化科技有限公司021-33632979 · [email protected]
青岛海智微元生物科技有限公司18317699790 18317699790 · [email protected]
上海昕凯医药科技有限公司21-619849051-1 18521059765 · [email protected]
EMMX Biotechnology LLC888-539-0666 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国（陶术生物）
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