Zacopride hydrochloride - ≥97% , CAS No.101303-98-4

CAS: 101303-98-4 Cat. No.: Z287819 Molecular Weight: 346.26 PubChem CID: 9928181

GRADE & PURITY ≥97%

Synonyms

HY-103137 | Q27274695 | (+/-)-4-Amino-N-1-azabicyclo[2.2.2]oct-3-yl-5-chloro-2-methoxybenzamide hydrochloride | 4-amino-n-1-azabicyclo[2,2,2]oct-3-yl-5-chloro-2-methoxybenzamide hydrochloride | BEA30398 | DTXCID2025686 | MS-25317 | SR-01000597764-1 | Zaco

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Overview

Product description

Zacopride hydrochloride is a highly potent 5-HT3 receptor antagonist with Kis of 0.38 and 373 nM for 5-HT3 and 5-HT4 receptor, respectively. Zacopride hydrochloride is also a moderate IK1 channel agonist. Zacopride hydrochloride exerts significant antiarrhythmic and cardiac protective effects。

Specifications

Synonyms

HY-103137 | Q27274695 | (+/-)-4-Amino-N-1-azabicyclo[2.2.2]oct-3-yl-5-chloro-2-methoxybenzamide hydrochloride | 4-amino-n-1-azabicyclo[2, 2, 2]oct-3-yl-5-chloro-2-methoxybenzamide hydrochloride | BEA30398 | DTXCID2025686 | MS-25317 | SR-01000597764-1 | Zaco

Specifications & Purity

≥97%

Biochemical and Physiological Mechanisms

Highly potent 5-HT3receptor antagonist (Ki= 0.38 nM) and 5-HT4receptor agonist (Ki= 373 nM). Antiemetic and anxiolytic following systemic administrationin vivo.

Storage

Store at 2-8°C, Desiccated

Shipped In

Wet ice

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

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488196440
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488196440
• Canonical Smiles: COC1=CC(=C(C=C1C(=O)NC2CN3CCC2CC3)Cl)N.Cl
• IUPAC Name: 4-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)-5-chloro-2-methoxybenzamide;hydrochloride
• InChIKey: ITXVOUSORXSTQH-UHFFFAOYSA-N
• INCHI: 1S/C15H20ClN3O2.ClH/c1-21-14-7-12(17)11(16)6-10(14)15(20)18-13-8-19-4-2-9(13)3-5-19;/h6-7,9,13H,2-5,8,17H2,1H3,(H,18,20);1H
• Isomeric SMILES: COC1=CC(=C(C=C1C(=O)NC2CN3CCC2CC3)Cl)N.Cl
• PubChem CID: 9928181
• Molecular Weight: 346.26

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Level5 Aminobenzoic acids and derivatives
          • Level6 Aminobenzamides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Aminobenzoic acids and derivatives
• Direct Parent: Aminobenzamides
• Alternative Parents: 3-halobenzoic acids and derivatives Benzamides Aminophenyl ethers Methoxyanilines Benzoyl derivatives Quinuclidines Phenoxy compounds Anisoles Methoxybenzenes Chlorobenzenes Alkyl aryl ethers Piperidines Aryl chlorides Secondary carboxylic acid amides Trialkylamines Amino acids and derivatives Azacyclic compounds Hydrocarbon derivatives Hydrochlorides Organic oxides Organochlorides Organopnictogen compounds Primary amines
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Aminobenzamide - Halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Aminophenyl ether - Benzamide - Methoxyaniline - Phenoxy compound - Anisole - Benzoyl - Methoxybenzene - Aniline or substituted anilines - Phenol ether - Quinuclidine - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Piperidine - Tertiary amine - Amino acid or derivatives - Secondary carboxylic acid amide - Tertiary aliphatic amine - Carboxamide group - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Ether - Primary amine - Hydrochloride - Organohalogen compound - Organochloride - Hydrocarbon derivative - Organic oxide - Amine - Organic nitrogen compound - Organopnictogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as aminobenzamides. These are organic compounds containing a benzamide moiety with an amine group attached to the benzene 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)

U2OS (164939 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

• Solubility: Solvent:water, Max Conc. mg/mL: 34.63, Max Conc. mM: 100; Solvent:DMSO, Max Conc. mg/mL: 34.62, Max Conc. mM: 100
• Sensitivity: Moisture sensitive
• Molecular Weight: 346.200 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 345.101 Da
• Monoisotopic Mass: 345.101 Da
• Topological Polar Surface Area: 67.600 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 387.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

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