10-[2-(1-Methylpiperidin-1-ium-2-yl)ethyl]-2-methylsulfanylphenothiazine;chloride

Base Information

• Chemical Name: 10-[2-(1-Methylpiperidin-1-ium-2-yl)ethyl]-2-methylsulfanylphenothiazine;chloride
• CAS No.: 130-61-0
• Molecular Formula: C21H27ClN2S2
• Molecular Weight: 407.044
• Hs Code.: 2934302300
• Mol file: 130-61-0.mol

Synonyms:10-[2-(1-methylpiperidin-1-ium-2-yl)ethyl]-2-methylsulfanylphenothiazine;chloride

Chemical Property of 10-[2-(1-Methylpiperidin-1-ium-2-yl)ethyl]-2-methylsulfanylphenothiazine;chloride

Chemical Property:

• Appearance/Colour: Pale yellow solid
• Vapor Pressure: 9.65E-11mmHg at 25°C
• Melting Point: 158-160 °C
• Refractive Index: 1.5610 (estimate)
• Boiling Point: 515.7 °C at 760 mmHg
• Flash Point: 265.7 °C
• PSA: 57.08000
• Density: 1.1227 (rough estimate)
• LogP: 6.69050
• Storage Temp.: Desiccate at RT
• Sensitive.: Light Sensitive & Hygroscopic
• Solubility.: H2O: soluble250 mg plus 5 ml of solvent, clear, colorless to fai
• Water Solubility.: Soluble in water (75 mM), DMSO (100 mM), chloroform, ethanol, and methanol.
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 406.1304189
• Heavy Atom Count: 26
• Complexity: 432

Purity/Quality:

98%min ^*data from raw suppliers

10-[2-(1-methylpiperidin-2-yl)ethyl]-2-(methylsulfanyl)-10H-phenothiazinehydrochloride 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn, N
• Hazard Codes: Xn,N
• Statements: 22-36/37/38-50/53
• Safety Statements: 26-36-60-61

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C[NH+]1CCCCC1CCN2C3=CC=CC=C3SC4=C2C=C(C=C4)SC.[Cl-]
• Uses: Thioridazine hydrochloride has been used as an intercalating agent for analyzing the integrity of double-stranded DNA (dsDNA) using square-wave voltammetry (SWV) techniques. Thioridazine hydrochloride has also been used as a positive control for the inhibition of hepatic enzyme cytochrome P4502D6 (CYP2D6) in human liver microsomes. Dopamine receptor blocker; parent compound of sulforidazine and mesoridazine. Antipsychotic Thioridazine HCl is a dopamine receptor blocker and antipsychotic. It is the parent compound of sulforidazine and mesoridazine. Thioridazine hydrochloride has been reported to bind strongly to dopamine receptors on cancer stem cells and cause differentiation leaving normal cells alone (see Can. Chem. News 12 July/August 2012).
• Therapeutic Function: Tranquilizer

Technology Process of 10-[2-(1-Methylpiperidin-1-ium-2-yl)ethyl]-2-methylsulfanylphenothiazine;chloride

There total 2 articles about 10-[2-(1-Methylpiperidin-1-ium-2-yl)ethyl]-2-methylsulfanylphenothiazine;chloride which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 100.0%

thioridazine (50-52-2,52496-67-0,57129-06-3,114488-10-7) → thioridazine Hydrochloride (130-61-0)

Guidance literature:

With hydrogenchloride; In ethanol; water;

Reference yield: 100.0%

(1R,2S,5R)-2-isopropyl-5-methylcyclohexyl 2-{2-[2-(methylthio)-10H-phenothiazin-10-yl]ethyl}piperidine-1-carboxylate → thioridazine Hydrochloride (130-61-0)

Guidance literature:

(1R,2S,5R)-2-isopropyl-5-methylcyclohexyl 2-{2-[2-(methylthio)-10H-phenothiazin-10-yl]ethyl}piperidine-1-carboxylate; With lithium aluminium tetrahydride; In tetrahydrofuran; at 0 - 50 ℃; for 18h; Inert atmosphere;

With hydrogenchloride; In ethanol; water;

DOI:10.1002/anie.201304290

Reference yield: 62.0%

Cyclohexanethiol (1569-69-3) + thioridazine Hydrochloride (130-61-0) → 2-(cyclohexylthio)-10-(2-(1-methylpiperidin-2-yl)ethyl)-10H-phenothiazine

Guidance literature:

With Singacycle A₁; lithium hexamethyldisilazane; In o-xylene; at 160 ℃; for 12h; Glovebox; Sealed tube;

upstream raw materials:

thioridazine

Downstream raw materials:

Thioridazine 5-sulfoxide

Northioridazine

2-(benzylthio)-10-(2-(1-methylpiperidin-2-yl)ethyl)-10H-phenothiazine

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