Arecaidine propargyl ester tosylate - ≥98% , CAS No.147202-94-6

CAS: 147202-94-6 Cat. No.: A287277 Molecular Weight: 351.42
AVAILABLE TO ORDER
GRADE & PURITY ≥98%
Synonyms
HMS3411G15 | ARECAIDINE PROPARGYL ESTER TOSYLATE | NCGC00025363-01 | AKOS024457820 | N-Methyl-1,2,5,6-tetrahydropyridine-3-carboxylic acid propargyl ester tosylate | HMS3675G15 | DTXSID50424994 | 4-methylbenzenesulfonic acid;prop-2-ynyl 1-methyl-3,6-dihyd
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
5mg
A287277-5mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$121.90
10mg
A287277-10mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$205.90
25mg
A287277-25mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$438.90
50mg
A287277-50mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$741.90
100mg
A287277-100mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$1,260.90
Enter a quantity for the sizes you want to add.
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Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
HMS3411G15 | ARECAIDINE PROPARGYL ESTER TOSYLATE | NCGC00025363-01 | AKOS024457820 | N-Methyl-1, 2, 5, 6-tetrahydropyridine-3-carboxylic acid propargyl ester tosylate | HMS3675G15 | DTXSID50424994 | 4-methylbenzenesulfonic acid;prop-2-ynyl 1-methyl-3, 6-dihyd
Specifications & Purity
≥98%
Biochemical and Physiological Mechanisms
A potent muscarinic receptor agonist. Shows some selectivity for cardiac versus ileal M2receptors.
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Action Type
AGONIST
Purity
≥98%
Names and Identifiers
Canonical SmilesCC1=CC=C(C=C1)S(=O)(=O)O.CN1CCC=C(C1)C(=O)OCC#C
IUPAC Name4-methylbenzenesulfonic acid;prop-2-ynyl 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate
InChIKeyLYHWIOMAWPVTPI-UHFFFAOYSA-N
INCHI1S/C10H13NO2.C7H8O3S/c1-3-7-13-10(12)9-5-4-6-11(2)8-9;1-6-2-4-7(5-3-6)11(8,9)10/h1,5H,4,6-8H2,2H3;2-5H,1H3,(H,8,9,10)
Isomeric SMILES CC1=CC=C(C=C1)S(=O)(=O)O.CN1CCC=C(C1)C(=O)OCC#C
Molecular Weight 351.42
Reaxy-Rn 8519959
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8519959&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClassBenzene and substituted derivatives
SubclassBenzenesulfonic acids and derivatives
Intermediate Tree Nodes Not available
Direct Parentp-Methylbenzenesulfonates
Alternative Parents Tosyl compounds  1-sulfo,2-unsubstituted aromatic compounds  Alkaloids and derivatives  Benzenesulfonyl compounds  Hydropyridines  Sulfonyls  Organosulfonic acids  Enoate esters  Trialkylamines  Amino acids and derivatives  Acetylides  Monocarboxylic acids and derivatives  Azacyclic compounds  Carbonyl compounds  Hydrocarbon derivatives  Organic oxides  Organopnictogen compounds  
Molecular FrameworkNot available
Substituents P-methylbenzenesulfonate - Tosyl compound - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Alkaloid or derivatives - Benzenesulfonyl group - Toluene - Hydropyridine - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Organosulfonic acid - Sulfonyl - Amino acid or derivatives - Carboxylic acid ester - Tertiary amine - Tertiary aliphatic amine - Acetylide - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Azacycle - Carboxylic acid derivative - Organopnictogen compound - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Carbonyl group - Amine - Organic nitrogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as p-methylbenzenesulfonates. These are benzenesulfonic acids (or derivative thereof) carrying a methyl group at the para- position.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
USP1 Tchem Ubiquitin carboxyl-terminal hydrolase 1 (22556 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
lef Anthrax lethal factor (7585 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
SolubilitySolvent:water, Max Conc. mg/mL: None, Max Conc. mM: 100
Molecular Weight351.400 g/mol
XLogP3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass351.114 Da
Monoisotopic Mass351.114 Da
Topological Polar Surface Area92.300 Ų
Heavy Atom Count24
Formal Charge0
Complexity478.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count2
Solution Calculators
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