≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Desiccated Ships Wet ice Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Xanomeline (LY 246708) is the potent agonist of muscarinic M1/M4 receptor with antipsychotic-like activity. Xanomeline (LY 246708) increases neuronal excitability. Xanomeline (LY 246708) can be used for the research of schizophrenia
In Vitro
Xanomeline (LY 246708) (0.1-10 μM; CNS4U) shows an overall increase in the mean firing rate. Xanomeline (LY 246708) shows the M1 receptor is functional in hiPSC derived neurons. Xanomeline (LY 246708) (＞1 μM) has a prolonged engagement with the receptor and produces a persistent receptor activation leading to a sustained suppression of the M-current. MCE has not independently confirmed the accuracy of these methods. They are for reference only.
In Vivo
Xanomeline (LY 246708) (0.5-3 mg/kg; s.c.; 1-3 hours) induces salivation and vomiting in some monkeys. Xanomeline (LY 246708) shows functional dopamine antagonism and an antipsychotic-like profile. Xanomeline (LY 246708) inhibits D-amphetamine- and (−)-apomorphine-induced behavior and do not cause extrapyramidal side effects. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: Male Cebus apella monkeysDosage: 0.5-3 mg/kg Administration: s.c.; 1-3 hours Result: Induced salivation and vomiting in some monkeys.
Form:Solid
IC50& Target:M1/M4
| Canonical Smiles | CCCCCCOC1=NSN=C1C2=CCCN(C2)C.C(C(C(=O)O)O)(C(=O)O)O |
|---|---|
| IUPAC Name | (2R,3R)-2,3-dihydroxybutanedioic acid;3-hexoxy-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole |
| InChIKey | SJSVWTMVMBGIHQ-LREBCSMRSA-N |
| INCHI | 1S/C14H23N3OS.C4H6O6/c1-3-4-5-6-10-18-14-13(15-19-16-14)12-8-7-9-17(2)11-12;5-1(3(7)8)2(6)4(9)10/h8H,3-7,9-11H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/m.1/s1 |
| Isomeric SMILES | CCCCCCOC1=NSN=C1C2=CCCN(C2)C.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O |
| Alternate CAS | 152854-19-8 |
| PubChem CID | 71456 |
| MeSH Entry Terms | (3-O-hexyloxy)-TZTP;3-(3-O-hexyl-1,2,5-thiadiazol-4-yl)-1,2,5,6-tetrahydro-1-methylpyridine;LY 246708;LY-246708;LY246708;xanomeline;xanomeline tartrate |
| Molecular Weight | 431.50 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic oxygen compounds |
| Class | Organooxygen compounds |
| Subclass | Ethers |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Alkyl aryl ethers |
| Alternative Parents | Sugar acids and derivatives Short-chain hydroxy acids and derivatives Beta hydroxy acids and derivatives Alpha hydroxy acids and derivatives Monosaccharides Hydropyridines Fatty acids and conjugates Dicarboxylic acids and derivatives Thiadiazoles Heteroaromatic compounds Trialkylamines Secondary alcohols 1,2-diols Azacyclic compounds Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds |
| Molecular Framework | Not available |
| Substituents | Alkyl aryl ether - Beta-hydroxy acid - Short-chain hydroxy acid - Sugar acid - Hydroxy acid - Alpha-hydroxy acid - Monosaccharide - Hydropyridine - Fatty acid - Dicarboxylic acid or derivatives - Azole - Heteroaromatic compound - Thiadiazole - Secondary alcohol - Tertiary aliphatic amine - 1,2-diol - Tertiary amine - Azacycle - Carboxylic acid derivative - Carboxylic acid - Organoheterocyclic compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Amine - Alcohol - Organopnictogen compound - Organic oxide - Organonitrogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as alkyl aryl ethers. These are organic compounds containing the alkyl aryl ether functional group with the generic formula R-O-R' , where R is an alkyl group and R' is an aryl group. |
| External Descriptors | Not available |
| Solubility | DMSO : 250 mg/mL (579.37 mM; Need ultrasonic) |
|---|---|
| Molecular Weight | 431.500 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 11 |
| Rotatable Bond Count | 10 |
| Exact Mass | 431.173 Da |
| Monoisotopic Mass | 431.173 Da |
| Topological Polar Surface Area | 182.000 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 432.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| 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 |
