ST-836 hydrochloride - ≥98% , CAS No.1415564-68-9

CAS: 1415564-68-9 Cat. No.: S649294 Fórmula: C₂₃H₃₅ClN₄OS Peso molecular: 451.07 PubChem CID: 66577019

GRADE & PURITY ≥98%

Synonyms

N-{2-[4-(2-Methoxyphenyl)piperazin-1-yl]ethyl}-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine--hydrogen chloride (1/1) | AKOS030526505 | MS-28188 | DTXSID10735351 | N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-propyl-4,5,6,7-tetrahydro-1,3-benzo

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Visão geral

ST-836 hydrochloride (compound 34) is a potent dopamine receptor ligand with K i values of 4.5 nM, 132 nM for D3 and D2, respectively. ST-836 hydrochloride has the potential for Parkinson’s disease

Form:Solid

IC50& Target:D 3 Receptor 4.5 nM (Ki) D 2 Receptor 132 nM (Ki)

Specifications

Sinónimos

N-{2-[4-(2-Methoxyphenyl)piperazin-1-yl]ethyl}-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine--hydrogen chloride (1/1) | AKOS030526505 | MS-28188 | DTXSID10735351 | N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-propyl-4,5,6,7-tetrahydro-1,3-benzo

Especificações e pureza

≥98%

Mecanismos bioquímicos e fisiológicos

ST-836 hydrochloride (compound 34) is a potent dopamine receptor ligand with K i values of 4.5 nM, 132 nM for D3 and D2, respectively. ST-836 hydrochloride has the potential for Parkinson’s disease.

Condições de armazenamento de armazenamento

Store at 2-8°C,Desiccated

Enviado em

Wet ice

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

Pureza

≥98%

Nomes e identificadores

Sorrisos canónicos

CCCN(CCN1CCN(CC1)C2=CC=CC=C2OC)C3CCC4=C(C3)SC=N4.Cl

IUPAC Name

N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine;hydrochloride

InChIKey

FQDNEMILQYIEIG-UHFFFAOYSA-N

INCHI

1S/C23H34N4OS.ClH/c1-3-10-26(19-8-9-20-23(17-19)29-18-24-20)14-11-25-12-15-27(16-13-25)21-6-4-5-7-22(21)28-2;/h4-7,18-19H,3,8-17H2,1-2H3;1H

SMILES isoméricas

CCCN(CCN1CCN(CC1)C2=CC=CC=C2OC)C3CCC4=C(C3)SC=N4.Cl

CAS alternativo

1415564-68-9

PubChem CID

66577019

Peso molecular

451.07

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Diazinanes
      • Subclass Piperazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpiperazines
• Alternative Parents: N-arylpiperazines Methoxyanilines Aminophenyl ethers Phenoxy compounds Methoxybenzenes Dialkylarylamines Anisoles N-alkylpiperazines Alkyl aryl ethers Aralkylamines Thiazoles Heteroaromatic compounds Trialkylamines Azacyclic compounds Hydrocarbon derivatives Hydrochlorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenylpiperazine - N-arylpiperazine - Aminophenyl ether - Methoxyaniline - Anisole - Phenol ether - Phenoxy compound - Dialkylarylamine - Aniline or substituted anilines - Methoxybenzene - N-alkylpiperazine - Aralkylamine - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Azole - Thiazole - Tertiary amine - Tertiary aliphatic amine - Ether - Azacycle - Organic nitrogen compound - Amine - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Hydrochloride - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as phenylpiperazines. These are compounds containing a phenylpiperazine skeleton, which consists of a piperazine 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

Propriedades químicas e físicas

• Solubilidade: H2O : 100 mg/mL (221.70 mM; Need ultrasonic) DMSO : 50 mg/mL (110.85 mM; Need ultrasonic)
• Peso molecular: 451.100 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 450.222 Da
• Monoisotopic Mass: 450.222 Da
• Topological Polar Surface Area: 60.100 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 487.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C, desiccated. Keep the container tightly closed with desiccant — the material is moisture-sensitive.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1415564-68-9, the molecular formula is C23H35ClN4OS, and the molecular weight is 451.07 g/mol. InChIKey FQDNEMILQYIEIG-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.