Anpirtoline hydrochloride - ≥98% , CAS No.99201-87-3

CAS: 99201-87-3 Cat. No.: A275328 Molecular Weight: 265.2 PubChem CID: 6917943

GRADE & PURITY ≥98%

Synonyms

2-chloro-6-(piperidin-4-ylsulfanyl)pyridine, hydrochloride | 2-CHLORO-6-(4-PIPERIDINYLTHIO)PYRIDINE HYDROCHLORIDE | DTXSID10243986 | 2-chloro-6-piperidin-4-ylsulfanylpyridine hydrochloride | D16949 | D-16949 | D 16949 | ZDA20187 | SCHEMBL3115824 | 6-CHLOR

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

2-chloro-6-(piperidin-4-ylsulfanyl)pyridine, hydrochloride | 2-CHLORO-6-(4-PIPERIDINYLTHIO)PYRIDINE HYDROCHLORIDE | DTXSID10243986 | 2-chloro-6-piperidin-4-ylsulfanylpyridine hydrochloride | D16949 | D-16949 | D 16949 | ZDA20187 | SCHEMBL3115824 | 6-CHLOR

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

Potent, selective 5-HT 1B receptor agonist (K i values are 28, 150 and 1490 nM for 5-HT 1B , 5-HT 1A and 5-HT 2 receptors, respectively). Shows antidyskinetic effects in vivo . Blood-brain barrier permeable.

Storage

Store at -20°C, Desiccated

Shipped In

Ice chest + Ice pads

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

Action Type

AGONIST

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. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C1CNCCC1SC2=NC(=CC=C2)Cl.Cl
• IUPAC Name: 2-chloro-6-piperidin-4-ylsulfanylpyridine;hydrochloride
• InChIKey: GRXDJABVNGUGCW-UHFFFAOYSA-N
• INCHI: 1S/C10H13ClN2S.ClH/c11-9-2-1-3-10(13-9)14-8-4-6-12-7-5-8;/h1-3,8,12H,4-7H2;1H
• Isomeric SMILES: C1CNCCC1SC2=NC(=CC=C2)Cl.Cl
• PubChem CID: 6917943
• Molecular Weight: 265.2

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organosulfur compounds
    • Class Thioethers
      • Subclass Aryl thioethers

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Class: Thioethers
• Subclass: Aryl thioethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Aryl thioethers
• Alternative Parents: Alkylarylthioethers 2-halopyridines Piperidines Aryl chlorides Heteroaromatic compounds Sulfenyl compounds Dialkylamines Azacyclic compounds Organochlorides Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aryl thioether - 2-halopyridine - Alkylarylthioether - Aryl chloride - Aryl halide - Piperidine - Pyridine - Heteroaromatic compound - Secondary aliphatic amine - Azacycle - Secondary amine - Sulfenyl compound - Organoheterocyclic compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrochloride - Organic nitrogen compound - Hydrocarbon derivative - Amine - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as aryl thioethers. These are organosulfur compounds containing a thioether group that is substituted by an aryl group.
• External Descriptors: Not available

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

Chemical and Physical Properties

• Solubility: Soluble in water to 100 mM and in DMSO to 100 mM
• Sensitivity: Moisture sensitive.
• Molecular Weight: 265.200 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 264.025 Da
• Monoisotopic Mass: 264.025 Da
• Topological Polar Surface Area: 50.200 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 174.000
• 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: 2

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