Thiethylperazine dimalate , Dopamine D2 receptor antagonist, CAS No.52239-63-1, Dopamine D2 receptor antagonist

CAS: 52239-63-1 Cat. No.: T337458 Molecular Weight: 667.8 EC Number: 257-780-2 PubChem CID: 11954258

Synonyms

CCG-221068 | Norzine Ampuls | THIETHYLPERAZINE MALATE (MART.) | Malic acid, compound with 2-(ethylthio)-10-(3-(4-methylpiperazin-1-yl)propyl)-10H-phenothiazine (2:1) | D02610 | HP46XK89XB | 2-(Ethylthio)-10-[3-(4-methyl-1-piperazinyl)propyl]-10H-Phenothia

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Thiethylperazine dimalate is an antibacterial agent and a streptococcus Group D compound specifically against Enterococcus faecalis.

Specifications

Synonyms

CCG-221068 | Norzine Ampuls | THIETHYLPERAZINE MALATE (MART.) | Malic acid, compound with 2-(ethylthio)-10-(3-(4-methylpiperazin-1-yl)propyl)-10H-phenothiazine (2:1) | D02610 | HP46XK89XB | 2-(Ethylthio)-10-[3-(4-methyl-1-piperazinyl)propyl]-10H-Phenothia

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

ANTAGONIST

Mechanism of action

Dopamine D2 receptor antagonist

Names and Identifiers

• Canonical Smiles: CCSC1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCN4CCN(CC4)C.C(C(C(=O)O)O)C(=O)O.C(C(C(=O)O)O)C(=O)O
• IUPAC Name: 2-ethylsulfanyl-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine;2-hydroxybutanedioic acid
• InChIKey: GTHHLZDYRHLACN-UHFFFAOYSA-N
• INCHI: 1S/C22H29N3S2.2C4H6O5/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;2*5-2(4(8)9)1-3(6)7/h4-5,7-10,17H,3,6,11-16H2,1-2H3;2*2,5H,1H2,(H,6,7)(H,8,9)
• Isomeric SMILES: CCSC1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCN4CCN(CC4)C.C(C(C(=O)O)O)C(=O)O.C(C(C(=O)O)O)C(=O)O
• PubChem CID: 11954258
• Molecular Weight: 667.8

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Benzothiazines
      • Subclass Phenothiazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Benzothiazines
• Subclass: Phenothiazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenothiazines
• Alternative Parents: Alkyldiarylamines Diarylthioethers Thiophenol ethers Alkylarylthioethers Short-chain hydroxy acids and derivatives Beta hydroxy acids and derivatives N-methylpiperazines 1,4-thiazines Alpha hydroxy acids and derivatives Dicarboxylic acids and derivatives Fatty acids and conjugates Secondary alcohols Trialkylamines Carboxylic acids Azacyclic compounds Sulfenyl compounds Organopnictogen compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides
• Molecular Framework: Not available
• Substituents: Phenothiazine - Alkyldiarylamine - Diarylthioether - Aryl thioether - Tertiary aliphatic/aromatic amine - Thiophenol ether - Beta-hydroxy acid - Short-chain hydroxy acid - N-methylpiperazine - N-alkylpiperazine - Alkylarylthioether - Benzenoid - Fatty acid - Alpha-hydroxy acid - Para-thiazine - 1,4-diazinane - Dicarboxylic acid or derivatives - Hydroxy acid - Piperazine - Tertiary aliphatic amine - Tertiary amine - Secondary alcohol - Azacycle - Sulfenyl compound - Carboxylic acid derivative - Carboxylic acid - Thioether - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Amine - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Alcohol - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as phenothiazines. These are polycyclic aromatic compounds containing a phenothiazine moiety, which is a linear tricyclic system that consists of a two benzene rings joined by a para-thiazine ring.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 667.800 g/mol
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 15
• Rotatable Bond Count: 12
• Exact Mass: 667.223 Da
• Monoisotopic Mass: 667.223 Da
• Topological Polar Surface Area: 250.000 Ų
• Heavy Atom Count: 45
• Formal Charge: 0
• Complexity: 584.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 3

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