Acotiamide hydrochloride - 10mM in DMSO , Acetylcholinesterase inhibitor, CAS No.773092-05-0, Acetylcholinesterase inhibitor

CAS: 773092-05-0 Cat. No.: A425903 Molecular Weight: 541.06

GRADE & PURITY 10mM in DMSO

Synonyms

N-(2-(Diisopropylamino)ethyl)-2-((2-hydroxy-4,5-dimethoxybenzoyl)amino)-1,3-thiazole-4-carboxyamide monohydrochloride trihydrate | YM-443 HCl | Z-338 HCl | Acotiamide (monohydrochloride trihydrate) | BP-30144 | N-(2-(diisopropylamino)ethyl)-2-(2-hydroxy-4

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Overview

Information

Acotiamide hydrochloride Acotiamide Hydrochloride (YM-443, Z-338) is the hydrochloride salt form of acotiamide, a prokinetic agent with gastrointestinal (GI) motility-enhancing activity. It is a new orally active selective acetylcholinesterase inhibitor.

In vitro

Acotiamide inhibits AChE with half maximal inhibitory concentrations (IC50) of 3.0, 2.3 and 1.2 μM for human recombinant, and rat and canine gastric AChEs, respectively.

In vivo

Acotiamide is concentrated into the stomach tissue by carrier-mediated uptake processes, which may account for the selective action of acotiamide for gastric smooth muscle but not for skeletal muscle and central nervous system in rats.

Specifications

Synonyms

N-(2-(Diisopropylamino)ethyl)-2-((2-hydroxy-4, 5-dimethoxybenzoyl)amino)-1, 3-thiazole-4-carboxyamide monohydrochloride trihydrate | YM-443 HCl | Z-338 HCl | Acotiamide (monohydrochloride trihydrate) | BP-30144 | N-(2-(diisopropylamino)ethyl)-2-(2-hydroxy-4

Specifications & Purity

10mM in DMSO

Biochemical and Physiological Mechanisms

Acotiamide Hydrochloride (YM-443, Z-338) is the hydrochloride salt form of acotiamide, a prokinetic agent with gastrointestinal (GI) motility-enhancing activity. It is a new orally active selective acetylcholinesterase inhibitor.

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

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

Action Type

INHIBITOR

Mechanism of action

Acetylcholinesterase inhibitor

Names and Identifiers

• Canonical Smiles: CC(C)N(CCNC(=O)C1=CSC(=N1)NC(=O)C2=CC(=C(C=C2O)OC)OC)C(C)C.O.O.O.Cl
• IUPAC Name: N-[2-[di(propan-2-yl)amino]ethyl]-2-[(2-hydroxy-4,5-dimethoxybenzoyl)amino]-1,3-thiazole-4-carboxamide;trihydrate;hydrochloride
• InChIKey: NPTDXIXCQCFGKC-UHFFFAOYSA-N
• INCHI: 1S/C21H30N4O5S.ClH.3H2O/c1-12(2)25(13(3)4)8-7-22-20(28)15-11-31-21(23-15)24-19(27)14-9-17(29-5)18(30-6)10-16(14)26;;;;/h9-13,26H,7-8H2,1-6H3,(H,22,28)(H,23,24,27);1H;3*1H2
• Isomeric SMILES: CC(C)N(CCNC(=O)C1=CSC(=N1)NC(=O)C2=CC(=C(C=C2O)OC)OC)C(C)C.O.O.O.Cl
• Molecular Weight: 541.06
• Reaxy-Rn: 14523762
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14523762&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Level5 Hydroxybenzoic acid derivatives
          • Level6 Salicylic acid and derivatives
            • Level7 Salicylamides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Hydroxybenzoic acid derivatives - Salicylic acid and derivatives
• Direct Parent: Salicylamides
• Alternative Parents: Methoxyphenols Dimethoxybenzenes 4-alkoxyphenols Benzamides Thiazolecarboxamides Phenoxy compounds 2-heteroaryl carboxamides Benzoyl derivatives Anisoles 1-hydroxy-2-unsubstituted benzenoids 2,4-disubstituted thiazoles Alkyl aryl ethers Vinylogous acids Heteroaromatic compounds Trialkylamines Secondary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Hydrochlorides Hydrocarbon derivatives Organic oxides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Methoxyphenol - Salicylamide - Dimethoxybenzene - O-dimethoxybenzene - Benzamide - 4-alkoxyphenol - 2-heteroaryl carboxamide - Phenol ether - Thiazolecarboxamide - Thiazolecarboxylic acid or derivatives - Benzoyl - Phenoxy compound - Methoxybenzene - Anisole - 2,4-disubstituted 1,3-thiazole - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Vinylogous acid - Thiazole - Azole - Heteroaromatic compound - Tertiary aliphatic amine - Secondary carboxylic acid amide - Tertiary amine - Carboxamide group - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Organic oxygen compound - Hydrochloride - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Amine - Organic oxide - Organonitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as salicylamides. These are carboxamide derivatives of salicylic acid. Salicylic acid is the ortho-hydroxylated derivative of benzoic acid.
• 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: 541.100 g/mol
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 10
• Exact Mass: 540.202 Da
• Monoisotopic Mass: 540.202 Da
• Topological Polar Surface Area: 144.000 Ų
• Heavy Atom Count: 35
• Formal Charge: 0
• Complexity: 586.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 5

XLogP3