Vesamicol (AH5183) - Moligand™, ≥95% , Inhibitor of Vesicular acetylcholine transporter, CAS No.22232-64-0, Inhibitor of Vesicular acetylcholine transporter

CAS: 22232-64-0 Cat. No.: V614739 Fórmula: C₁₇H₂₅NO Peso molecular: 259.39

GRADE & PURITY Moligand™, ≥95%

Synonyms

Prestwick1_000920 | SDCCGSBI-0051195.P004 | SCHEMBL571598 | DTXSID701009898 | Spectrum3_001861 | Prestwick2_000920 | BDBM50018078 | BSPBio_003302 | Oprea1_778558 | KBio2_000772 | 2-(4-Phenyl-1-piperidinyl)cyclohexanol | BRD-A76904477-003-02-5 | Cyclohexan

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

Vesamicol is a compound used to synthesize radiolabeled derivatives that can be used as sigma receptor ligands for tumor targeting inhibition and have shown certain potential in cellular uptake, biodistribution and inhibition experiments.

Specifications

Sinónimos

Prestwick1_000920 | SDCCGSBI-0051195.P004 | SCHEMBL571598 | DTXSID701009898 | Spectrum3_001861 | Prestwick2_000920 | BDBM50018078 | BSPBio_003302 | Oprea1_778558 | KBio2_000772 | 2-(4-Phenyl-1-piperidinyl)cyclohexanol | BRD-A76904477-003-02-5 | Cyclohexan

Especificações e pureza

Moligand™, ≥95%

Condições de armazenamento de armazenamento

Protected from light,Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Grau

Moligand™

Tipo de ação

INHIBITOR

Mecanismo de ação

Inhibitor of Vesicular acetylcholine transporter

Pureza

≥95%

Nomes e identificadores

Sorrisos canónicos

OC1CCCCC1N1CCC(CC1)c1ccccc1

IUPAC Name

2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol

InChIKey

YSSBJODGIYRAMI-UHFFFAOYSA-N

INCHI

1S/C17H25NO/c19-17-9-5-4-8-16(17)18-12-10-15(11-13-18)14-6-2-1-3-7-14/h1-3,6-7,15-17,19H,4-5,8-13H2

SMILES isoméricas

C1CCC(C(C1)N2CCC(CC2)C3=CC=CC=C3)O

Peso molecular

259.39

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Piperidines
      • Subclass Phenylpiperidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Piperidines
• Subclass: Phenylpiperidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpiperidines
• Alternative Parents: Cyclohexylamines Cyclohexanols Aralkylamines Benzene and substituted derivatives Trialkylamines Cyclic alcohols and derivatives 1,2-aminoalcohols Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylpiperidine - Cyclohexanol - Cyclohexylamine - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Cyclic alcohol - 1,2-aminoalcohol - Secondary alcohol - Tertiary amine - Tertiary aliphatic amine - Azacycle - Organooxygen compound - Organonitrogen compound - Alcohol - Organic oxygen compound - Amine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as phenylpiperidines. These are compounds containing a phenylpiperidine skeleton, which consists of a piperidine bound to a phenyl 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

Alvos associados (humanos)

SLC18A3 Tchem Vesicular acetylcholine transporter (2 Activities)

Discover Target: SLC18A3

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

MAOA Tclin Monoamine oxidase A (11911 Activities)

Discover Target: MAOA

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

EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)

Discover Target: EHMT2

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

SMN1 Tchem Survival motor neuron protein (34246 Activities)

Discover Target: SMN1

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

GMNN Tbio Geminin (128009 Activities)

Discover Target: GMNN

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

TARDBP Tchem TAR DNA-binding protein 43 (40113 Activities)

Discover Target: TARDBP

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

Alvos associados (não humanos)

ampC Beta-lactamase AmpC (62480 Activities)

Discover Target: ampC

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

Vesicular acetylcholine transporter (105 Activities)

Explore this target

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

Sigmar1 Sigma opioid receptor (160 Activities)

Discover Target: Sigmar1

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

Mus musculus (284745 Activities)

Explore this target

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 Activities)

Discover Target: Txnrd1

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

Tmem97 Sigma intracellular receptor 2 (922 Activities)

Discover Target: Tmem97

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

Mecanismos de ação

Propriedades químicas e físicas

• Peso molecular: 259.399 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 259.194 Da
• Monoisotopic Mass: 259.194 Da
• Topological Polar Surface Area: 23.500 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 266.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1