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

    Grade & Purity:
  • 10mM in DMSO
In stock
Item Number
A425903
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A425903-1ml
1ml
Available within 8-12 weeks(?)
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$69.90

AChR Inhibitors

View related series
Compound libraries (12325)

Basic Description

Synonyms 773092-05-0 | Acotiamide hydrochloride trihydrate | Acotiamide hydrochloride hydrate | YM-443 | YM443 | Acotiamide hydrochloride [USAN] | Z-338 | 773092-05-0 (HCl hydrate) | NMW7447A9A | Acotiamide (monohydrochloride trihydrate) | 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 Temp Store at -80°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Action Type INHIBITOR
Mechanism of action Acetylcholinesterase inhibitor
Product Description

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.

Taxonomic Classification

Taxonomy Tree

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

Mechanisms of Action

Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References

Names and Identifiers

IUPAC Name N-[2-[di(propan-2-yl)amino]ethyl]-2-[(2-hydroxy-4,5-dimethoxybenzoyl)amino]-1,3-thiazole-4-carboxamide;trihydrate;hydrochloride
INCHI 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
InChIKey NPTDXIXCQCFGKC-UHFFFAOYSA-N
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
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=

Certificates(CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Chemical and Physical Properties

Molecular Weight 541.100 g/mol
XLogP3
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

Solution Calculators

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