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Acotiamide - 99%, high purity , CAS No.185106-16-5

COA

Grade & Purity:

≥99%

Cas Number: 185106-16-5
Molecular Weight: 450.55
PubChem CID: 5282338

In stock

Item Number

A413221

Grouped product items
SKU	Size	Availability	Price
A413221-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$75.90
A413221-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$259.90
A413221-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$336.90
A413221-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$549.90

AChE Selective Inhibitors

View related series

Cholinesterase (ChE) (151) Neuronal Signaling (3320)

Basic Description

Synonyms	N-(2-(BIS(1-METHYLETHYL)AMINO)ETHYL)-2-((2-HYDROXY-4,5-DIMETHOXYBENZOYL)AMINO)THIAZOLE-4-CARBOXAMIDE \| UNII-D42OWK5383 \| YM443; YM-443; YM 443; Z338; Z-338; Z 338 \| AC-27642 \| AC1NQZWJ \| HY-121467 \| N-[2-(diisopropylamino)ethyl]-2-[(2-hydroxy-4,5-dimethox
Specifications & Purity	≥99%
Biochemical and Physiological Mechanisms	Acotiamide (Acofide, Z388) is a novel acetylcholinesterase inhibitor with fundus-relaxing and gastroprokinetic properties.
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	Information Acotiamide (Acofide, Z388) is a novelacetylcholinesteraseinhibitor with fundus-relaxing and gastroprokinetic properties. Targets AChE 3 μM In vitro Acotiamide inhibited recombinant human and canine stomach-derived acetylcholinesterase (AChE) activity in vitro. The mode of the AChE inhibitory action of acotiamide was selective and reversible. It shows a mixed-type inhibition toward recombinant human AChE activity. Ki1 (competitive inhibition) and Ki2 values (noncompetitive inhibition) of acotiamide were 610 nM and 2.7 μM, respectively. IC50 values for AChE of acotiamide is 3 μM. IC50 value for BuChE of acotiamide is >1.0 × 10⁻³ M. Acotiamide inhibited AChE selectively, and the ratio of the IC50 value for BuChE to AChE was more than 330. Acotiamide has no affinity for α2-adrenoceptor, dopamine D2S receptor, or serotonin 5-HT4 receptors, including 5-HT4c, 5-HT4d, or 5-HT4e receptors. In in vitro studies, acotiamide enhanced acetylcholine- but not carbachol-induced contractile responses of guinea pig gastric antrum strips.

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 Organic oxides Hydrocarbon derivatives Organopnictogen compounds
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Salicylamide - Dimethoxybenzene - O-dimethoxybenzene - Methoxyphenol - Benzamide - 4-alkoxyphenol - Anisole - Thiazolecarboxylic acid or derivatives - Benzoyl - Phenol ether - Methoxybenzene - Phenoxy compound - 2-heteroaryl carboxamide - Thiazolecarboxamide - 1-hydroxy-2-unsubstituted benzenoid - 2,4-disubstituted 1,3-thiazole - Phenol - Alkyl aryl ether - Azole - Heteroaromatic compound - Vinylogous acid - Thiazole - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Carboxamide group - Organoheterocyclic compound - Azacycle - Ether - Carboxylic acid derivative - Amine - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organopnictogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen 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	salicylamides
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

Product Properties

ALogP	2.565
hba_count	5
HBD Count	3
Rotatable Bond	10

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
INCHI	InChI=1S/C21H30N4O5S/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)
InChIKey	TWHZNAUBXFZMCA-UHFFFAOYSA-N
Smiles	CC(C)N(CCNC(=O)C1=CSC(=N1)NC(=O)C2=CC(=C(C=C2O)OC)OC)C(C)C
Isomeric SMILES	CC(C)N(CCNC(=O)C1=CSC(=N1)NC(=O)C2=CC(=C(C=C2O)OC)OC)C(C)C
Molecular Weight	450.55
Reaxy-Rn	10117732
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10117732&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

DMSO(mg / mL) Max Solubility	90
DMSO(mM) Max Solubility	199.755854
Water(mg / mL) Max Solubility	＜1
Molecular Weight	450.600 g/mol
XLogP3	3.500
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	10
Exact Mass	450.194 Da
Monoisotopic Mass	450.194 Da
Topological Polar Surface Area	141.000 Å²
Heavy Atom Count	31
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	1

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