PRX 07034 - ≥98%(HPLC) , CAS No.903580-39-2

CAS: 903580-39-2 Cat. No.: P287324 Summenformel: C₂₁H₂₈ClN₃O₄S·HCl Molekulargewicht: 490.44 PubChem CID: 23653584

GRADE & PURITY ≥98%(HPLC)

Synonyms

DTXSID201029352 | PRX-07034 hydrochloride | N-[1-(5-Chloro-2,3-dimethoxyphenyl)ethyl]-2-(methylsulfonyl)-5-(1-piperazinyl)aniline hydrochloride | Benzenemethanamine, 5-chloro-2,3-dimethoxy-alpha-methyl-N-(2-(methylsulfonyl)-5-(1-piperazinyl)phenyl)-, hydr

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyme

DTXSID201029352 | PRX-07034 hydrochloride | N-[1-(5-Chloro-2,3-dimethoxyphenyl)ethyl]-2-(methylsulfonyl)-5-(1-piperazinyl)aniline hydrochloride | Benzenemethanamine, 5-chloro-2,3-dimethoxy-alpha-methyl-N-(2-(methylsulfonyl)-5-(1-piperazinyl)phenyl)-, hydr

Spezifikationen & Reinheit

≥98%(HPLC)

Biochemische und physiologische Mechanismen

Potent and selective 5-HT6receptor antagonist (IC50= 19 nM, Ki= 4 - 8 nM). Enhances working memory in rats.

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Aktionsart

ANTAGONIST

Reinheit

≥98%(HPLC)

Namen und Kennungen

• Pubchem Sid: 504769454
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504769454
• Kanonisches Lächeln: CC(C1=C(C(=CC(=C1)Cl)OC)OC)NC2=C(C=CC(=C2)N3CCNCC3)S(=O)(=O)C.Cl
• IUPAC Name: N-[1-(5-chloro-2,3-dimethoxyphenyl)ethyl]-2-methylsulfonyl-5-piperazin-1-ylaniline;hydrochloride
• InChIKey: PILCQJJJAFRKHO-UHFFFAOYSA-N
• INCHI: 1S/C21H28ClN3O4S.ClH/c1-14(17-11-15(22)12-19(28-2)21(17)29-3)24-18-13-16(25-9-7-23-8-10-25)5-6-20(18)30(4,26)27;/h5-6,11-14,23-24H,7-10H2,1-4H3;1H
• Isomere SMILES: CC(C1=C(C(=CC(=C1)Cl)OC)OC)NC2=C(C=CC(=C2)N3CCNCC3)S(=O)(=O)C.Cl
• PubChem CID: 23653584
• Molekulargewicht: 490.44

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpiperazines
• Alternative Parents: N-arylpiperazines Sulfonylanilines Dimethoxybenzenes Benzenesulfonyl compounds Phenylalkylamines Phenoxy compounds Anisoles Dialkylarylamines Secondary alkylarylamines Alkyl aryl ethers Chlorobenzenes Aryl chlorides Sulfones Azacyclic compounds Dialkylamines Hydrocarbon derivatives Hydrochlorides Organic oxides Organochlorides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylpiperazine - N-arylpiperazine - Sulfonylaniline - Dimethoxybenzene - O-dimethoxybenzene - Benzenesulfonyl group - Anisole - Phenol ether - Phenoxy compound - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Phenylalkylamine - Methoxybenzene - Aralkylamine - Chlorobenzene - Halobenzene - Secondary aliphatic/aromatic amine - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Sulfonyl - Sulfone - Tertiary amine - Secondary amine - Azacycle - Secondary aliphatic amine - Ether - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Organic oxide - Hydrochloride - Hydrocarbon derivative - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic heteromonocyclic compound
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Löslichkeit: Solvent:water, Max Conc. mg/mL: 9.81, Max Conc. mM: 20 with gentle warming; Solvent:DMSO, Max Conc. mg/mL: 49.04, Max Conc. mM: 100
• Molekulargewicht: 490.400 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 7
• Exact Mass: 489.126 Da
• Monoisotopic Mass: 489.126 Da
• Topological Polar Surface Area: 88.300 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 641.000
• 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

Häufig gestellte Fragen

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by HPLC. Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. 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 903580-39-2, the molecular formula is C21H28ClN3O4S·HCl, and the molecular weight is 490.44 g/mol. InChIKey PILCQJJJAFRKHO-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.