Quipazine maleate salt - ≥98% , CAS No.5786-68-5

CAS: 5786-68-5 Cat. No.: Q137284 Molecular Weight: 329.35 EC Number: 227-314-2 PubChem CID: 5702242

GRADE & PURITY ≥98%

Synonyms

SCHEMBL124520 | AKOS027327559 | Ext D and C Red No. 15 | Pharmakon1600-01503420 | 2-(1-Piperazinyl)quinoline (Z)-2-butenedioate (1:1) | CAS-5786-68-5 | MFCD00133796 | Quipazine maleate salt | 2-[1-PIPERAZINYL]QUINOLINE MALEATE SALT | NSC 758469 | Tox21_11

Storage

Room temperature

Shipped In

Normal

Overview

A selective 5-HT3 receptor agonist

Specifications

Synonyms

SCHEMBL124520 | AKOS027327559 | Ext D and C Red No. 15 | Pharmakon1600-01503420 | 2-(1-Piperazinyl)quinoline (Z)-2-butenedioate (1:1) | CAS-5786-68-5 | MFCD00133796 | Quipazine maleate salt | 2-[1-PIPERAZINYL]QUINOLINE MALEATE SALT | NSC 758469 | Tox21_11

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

Quipazine dimaleate is a selective agonist of 5-HT3 receptors (SR-3, HTR3). 5-HT3 receptors (SR-3, HTR3) are neuronal ligand-gated ion channels that produce excitatory responses in neurons when activated by seratonin or other agonists for the receptor. Qu

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504763912
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504763912
• Canonical Smiles: C1CN(CCN1)C2=NC3=CC=CC=C3C=C2.C(=CC(=O)O)C(=O)O
• IUPAC Name: (Z)-but-2-enedioic acid;2-piperazin-1-ylquinoline
• InChIKey: QYJJDHZHSCTBII-BTJKTKAUSA-N
• INCHI: 1S/C13H15N3.C4H4O4/c1-2-4-12-11(3-1)5-6-13(15-12)16-9-7-14-8-10-16;5-3(6)1-2-4(7)8/h1-6,14H,7-10H2;1-2H,(H,5,6)(H,7,8)/b;2-1-
• Isomeric SMILES: C1CN(CCN1)C2=NC3=CC=CC=C3C=C2.C(=C\C(=O)O)\C(=O)O
• WGK Germany: 3
• RTECS: VC2515000
• PubChem CID: 5702242
• Molecular Weight: 329.35

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Diazinanes
      • Subclass Piperazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridinylpiperazines
• Alternative Parents: N-arylpiperazines Aminoquinolines and derivatives Dialkylarylamines Aminopyridines and derivatives Unsaturated fatty acids Benzenoids Dicarboxylic acids and derivatives Imidolactams Heteroaromatic compounds Dialkylamines Carboxylic acids Azacyclic compounds Organic oxides Carbonyl compounds Hydrocarbon derivatives Organopnictogen compounds
• Molecular Framework: Not available
• Substituents: Pyridinylpiperazine - N-arylpiperazine - Aminoquinoline - Quinoline - Dialkylarylamine - Aminopyridine - Dicarboxylic acid or derivatives - Pyridine - Fatty acyl - Fatty acid - Imidolactam - Benzenoid - Unsaturated fatty acid - Heteroaromatic compound - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Azacycle - Secondary amine - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as pyridinylpiperazines. These are compounds containing a pyridinylpiperazine skeleton, which consists of a pyridine linked (not fused) to a piperazine by a bond by a single bond that is not part of a 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

Associated Targets(Human)

GLP1R Tclin Glucagon-like peptide 1 receptor (111429 Activities)

Discover Target: GLP1R

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

CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

Discover Target: CYP3A4

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

HSD17B10 Tchem Endoplasmic reticulum-associated amyloid beta-peptide-binding protein (20669 Activities)

Discover Target: HSD17B10

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

EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)

Discover Target: EHMT2

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

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

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

KDM4E Tchem Lysine-specific demethylase 4D-like (40243 Activities)

Discover Target: KDM4E

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

GMNN Tbio Geminin (128009 Activities)

Discover Target: GMNN

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SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 Activities)

Discover Target: SLCO1B1

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

SLCO1B3 Tchem Solute carrier organic anion transporter family member 1B3 (2517 Activities)

Discover Target: SLCO1B3

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

Associated Targets(non-human)

Plasmodium falciparum (966862 Activities)

Explore this target

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

Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 Activities)

Discover Target: Txnrd1

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

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 329.350 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 329.138 Da
• Monoisotopic Mass: 329.138 Da
• Topological Polar Surface Area: 103.000 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 344.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 2

XLogP3