Thiethylperazine Dimaleate - ≥98% , Dopamine D2 receptor antagonist, CAS No.1179-69-7, Dopamine D2 receptor antagonist

CAS: 1179-69-7 Cat. No.: T350113 Molecular Weight: 631.76 EC Number: 214-648-9 PubChem CID: 5282398

GRADE & PURITY ≥98%

Synonyms

10H-Phenothiazine, 2-(ethylthio)-10-(3-(4-methyl-1-piperazinyl)propyl)-, (Z)-2-butenedioate | BAA17969 | Norzine (TN) | Thiethylperazine maleate (USAN:USP) | Thiethylperazine di(hydrogen maleate) | THIETHYLPERAZINE MALEATE [ORANGE BOOK] | Phenothiazine, 2

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Overview

Thiethylperazine dimaleate (Thiethylperazine maleate) is an antagonist of the D2 receptor and H1 receptor. Thiethylperazine dimaleate is an activator of ABCC1 and possesses antimicrobial, anti-emetic, and antipsychotic effects.

Specifications

Synonyms

10H-Phenothiazine, 2-(ethylthio)-10-(3-(4-methyl-1-piperazinyl)propyl)-, (Z)-2-butenedioate | BAA17969 | Norzine (TN) | Thiethylperazine maleate (USAN:USP) | Thiethylperazine di(hydrogen maleate) | THIETHYLPERAZINE MALEATE [ORANGE BOOK] | Phenothiazine, 2

Specifications & Purity

≥98%

Storage

Store at 2-8°C, Protected from light

Shipped In

Wet ice

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

Action Type

ANTAGONIST

Mechanism of action

Dopamine D2 receptor antagonist

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CCSC1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCN4CCN(CC4)C.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O
• IUPAC Name: (Z)-but-2-enedioic acid;2-ethylsulfanyl-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine
• InChIKey: RVBRTNPNFYFDMZ-SPIKMXEPSA-N
• INCHI: 1S/C22H29N3S2.2C4H4O4/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*5-3(6)1-2-4(7)8/h4-5,7-10,17H,3,6,11-16H2,1-2H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-
• Isomeric SMILES: CCSC1=CC2=C(SC3=CC=CC=C3N2CCCN4CCN(CC4)C)C=C1.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O
• PubChem CID: 5282398
• Molecular Weight: 631.76

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Dicarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Dicarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Dicarboxylic acids and derivatives
• Alternative Parents: Unsaturated fatty acids Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Not available
• Substituents: Fatty acyl - Fatty acid - Unsaturated fatty acid - Dicarboxylic acid or derivatives - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups.
• External Descriptors: maleate salt

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

Associated Targets(non-human)

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

SARS-CoV-2 (38078 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Light sensitive；Moisture sensitive
• Melt Point(°C): >146° C (dec.)
• Molecular Weight: 631.800 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 10
• Exact Mass: 631.202 Da
• Monoisotopic Mass: 631.202 Da
• Topological Polar Surface Area: 210.000 Ų
• Heavy Atom Count: 43
• Formal Charge: 0
• Complexity: 574.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 2
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 2
• Covalently-Bonded Unit Count: 3

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