Rivastigmine Tartrate - ≥98% , Cholinesterases; ACHE & BCHE inhibitor, CAS No.129101-54-8, Cholinesterases; ACHE & BCHE inhibitor

CAS: 129101-54-8 Cat. No.: R129987 Molecular Weight: 400.42 EC Number: 603-318-3 PubChem CID: 6918078

GRADE & PURITY ≥98%

Synonyms

Q27133236 | AKOS022179413 | AS-14385 | AKOS003617905 | Carbamic acid, ethylmethyl-, 3-(1-(dimethylamino)ethyl)phenyl ester, (S)-, (R-(R*,R*))-2,3-dihydroxybutanedioate (1:1) | HMS3884H05 | HMS3678F17 | SDZ-ENA 713 | ENA 713 | perfluoro-n-octanesulfonic ac

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

Rivastigmine Tartrate is a cholinesterase inhibitor with IC50 of 5.5 μM, and used as a parasympathomimetic or cholinergic agent for the treatment of mild to moderate Alzheimer disease.
A parasympathomimetic or cholinergic agent.

Specifications

Synonyms

Q27133236 | AKOS022179413 | AS-14385 | AKOS003617905 | Carbamic acid, ethylmethyl-, 3-(1-(dimethylamino)ethyl)phenyl ester, (S)-, (R-(R*, R*))-2, 3-dihydroxybutanedioate (1:1) | HMS3884H05 | HMS3678F17 | SDZ-ENA 713 | ENA 713 | perfluoro-n-octanesulfonic ac

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

Rivastigmine hydrogen tartrate is a parasympathomimetic or cholinergic agent. Rivastigmine hydrogen tartrate is also a dual ChEI (cholinesterase inhibitor); inhibiting BChE (butyrylcholinesterase) and AChE (acetylcholinesterase).Acetylcholinesterase and b

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Action Type

INHIBITOR

Mechanism of action

Cholinesterases; ACHE & BCHE inhibitor

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Toxic, refer to SDS for further information. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504764345
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504764345
• Canonical Smiles: CCN(C)C(=O)OC1=CC=CC(=C1)C(C)N(C)C.C(C(C(=O)O)O)(C(=O)O)O
• IUPAC Name: (2R,3R)-2,3-dihydroxybutanedioic acid;[3-[(1S)-1-(dimethylamino)ethyl]phenyl] N-ethyl-N-methylcarbamate
• InChIKey: GWHQHAUAXRMMOT-MBANBULQSA-N
• INCHI: 1S/C14H22N2O2.C4H6O6/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4;5-1(3(7)8)2(6)4(9)10/h7-11H,6H2,1-5H3;1-2,5-6H,(H,7,8)(H,9,10)/t11-;1-,2-/m01/s1
• Isomeric SMILES: CCN(C)C(=O)OC1=CC=CC(=C1)[C@H](C)N(C)C.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O
• WGK Germany: 3
• RTECS: FA9550000
• PubChem CID: 6918078
• Molecular Weight: 400.42

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Phenoxy compounds

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Phenoxy compounds
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenoxy compounds
• Alternative Parents: Sugar acids and derivatives Short-chain hydroxy acids and derivatives Aralkylamines Beta hydroxy acids and derivatives Alpha hydroxy acids and derivatives Monosaccharides Fatty acids and conjugates Dicarboxylic acids and derivatives Carbamate esters Trialkylamines Secondary alcohols 1,2-diols Organic carbonic acids and derivatives Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds
• Molecular Framework: Not available
• Substituents: Phenoxy compound - Beta-hydroxy acid - Aralkylamine - Sugar acid - Short-chain hydroxy acid - Alpha-hydroxy acid - Dicarboxylic acid or derivatives - Hydroxy acid - Fatty acid - Monosaccharide - Carbamic acid ester - 1,2-diol - Tertiary aliphatic amine - Tertiary amine - Secondary alcohol - Carbonic acid derivative - Carboxylic acid derivative - Carboxylic acid - Hydrocarbon derivative - Organic oxide - Alcohol - Organic nitrogen compound - Carbonyl group - Organopnictogen compound - Amine - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenoxy compounds. These are aromatic compounds contaning a phenoxy group.
• External Descriptors: tartrate

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)

ACHE Tclin Acetylcholinesterase (18204 Activities)

Discover Target: ACHE

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

MAOB Tclin Monoamine oxidase B (8835 Activities)

Discover Target: MAOB

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

BCHE Tclin Butyrylcholinesterase (7174 Activities)

Discover Target: BCHE

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: DMSO 42 mg/mL Water 80 mg/mL Ethanol 80 mg/mL
• Specific Rotation[α]: 5° (C=5,MeOH)
• Melt Point(°C): 126 °C
• Molecular Weight: 400.400 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 8
• Exact Mass: 400.185 Da
• Monoisotopic Mass: 400.185 Da
• Topological Polar Surface Area: 148.000 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 402.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• 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: 2

XLogP3