SR 57227 hydrochloride - ≥98% , CAS No.77145-61-0

CAS: 77145-61-0 Cat. No.: S286932 Molecular Weight: 248.15 EC Number: 636-086-7 PubChem CID: 131746

GRADE & PURITY ≥98%

Synonyms

4-Piperidinamine, 1-(6-chloro-2-pyridinyl)-, monohydrochloride | SCHEMBL3282207 | 1-(6-chloro-2-pyridinyl)-4-piperidinamine hydrochloride | NCGC00015931-04 | C90541 | CAS-77145-61-0 | SR 57227A, solid | CDA14561 | SR 57227A | UNII-OW45B79UZD | CM 57277 |

Storage

Room temperature

Shipped In

Normal

Overview

application：

SR 57227A may be used in 5-HT3-mediated cell signaling studies.

Specifications

Synonyms

4-Piperidinamine, 1-(6-chloro-2-pyridinyl)-, monohydrochloride | SCHEMBL3282207 | 1-(6-chloro-2-pyridinyl)-4-piperidinamine hydrochloride | NCGC00015931-04 | C90541 | CAS-77145-61-0 | SR 57227A, solid | CDA14561 | SR 57227A | UNII-OW45B79UZD | CM 57277 |

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

A high affinity, selective 5-HT3receptor agonist, activein vivoand CNS penetrant.SR 57227A is a highly selective of central and peripheral 5-HT3 receptors and an inhibitor of NMDA receptor-mediated responses in rat cortical pyramidal cells. It exhibits an

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504757011
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504757011
• Canonical Smiles: C1CN(CCC1N)C2=NC(=CC=C2)Cl.Cl
• IUPAC Name: 1-(6-chloropyridin-2-yl)piperidin-4-amine;hydrochloride
• InChIKey: FUMINTAAUJUVMP-UHFFFAOYSA-N
• INCHI: 1S/C10H14ClN3.ClH/c11-9-2-1-3-10(13-9)14-6-4-8(12)5-7-14;/h1-3,8H,4-7,12H2;1H
• Isomeric SMILES: C1CN(CCC1N)C2=NC(=CC=C2)Cl.Cl
• WGK Germany: 3
• RTECS: TM3465250
• PubChem CID: 131746
• Molecular Weight: 248.15

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass Amines
        • Level5 Tertiary amines
          • Level6 Tertiary alkylarylamines
            • Level7 Dialkylarylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Tertiary amines - Tertiary alkylarylamines
• Direct Parent: Dialkylarylamines
• Alternative Parents: Aminopyridines and derivatives Aminopiperidines 2-halopyridines Imidolactams Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organochlorides Monoalkylamines Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Dialkylarylamine - 4-aminopiperidine - 2-halopyridine - Aminopyridine - Aryl chloride - Aryl halide - Piperidine - Imidolactam - Pyridine - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Organochloride - Organohalogen compound - Primary aliphatic amine - Hydrochloride - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as dialkylarylamines. These are aliphatic aromatic amines in which the amino group is linked to two aliphatic chains and one aromatic 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

Associated Targets(Human)

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

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BLM Tchem Bloom syndrome protein (4248 Activities)

Discover Target: BLM

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Associated Targets(non-human)

Pseudomonas aeruginosa (123386 Activities)

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Klebsiella pneumoniae (43867 Activities)

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Staphylococcus aureus (210822 Activities)

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Acinetobacter baumannii (41033 Activities)

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Escherichia coli (133304 Activities)

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Cryptococcus neoformans (21258 Activities)

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Candida albicans (78123 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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Mechanisms of Action

Chemical and Physical Properties

• Solubility: Solvent:water, Max Conc. mg/mL: 24.82, Max Conc. mM: 100; Solvent:DMSO, Max Conc. mg/mL: 24.82, Max Conc. mM: 100
• Sensitivity: Moisture sensitive.
• Molecular Weight: 248.150 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 247.064 Da
• Monoisotopic Mass: 247.064 Da
• Topological Polar Surface Area: 42.200 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 180.000
• 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

XLogP3