MS 245 oxalate - ≥96% , CAS No.275363-58-1

CAS: 275363-58-1 Cat. No.: M287981 Formula: C₁₉H₂₂N₂O₃S•C₂H₂O₄ Peso molecolare: 448.5

GRADE & PURITY ≥96%

Synonyms

5-Methoxy-N,N-dimethyl-1-(phenylsulfonyl)-1H-indole-3-ethanamine oxalate | 2-(5-methoxy-1-(phenylsulfonyl)-1H-indol-3-yl)-N,N-dimethylethanamine oxalate

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinonimi

5-Methoxy-N,N-dimethyl-1-(phenylsulfonyl)-1H-indole-3-ethanamine oxalate | 2-(5-methoxy-1-(phenylsulfonyl)-1H-indol-3-yl)-N,N-dimethylethanamine oxalate

Specifiche e purezza

≥96%

Meccanismi biochimici e fisiologici

High affinity 5-HT6antagonist (Ki= 2.1 nM). Potentiates the hypolocomotor actions of (-)-nicotine in mice.

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Tipo di azione

ANTAGONIST

Purezza

≥96%

Nomi e identificatori

Pubchem Sid

488195882

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488195882

Sorrisi canonici

CN(C)CCC1=CN(C2=C1C=C(C=C2)OC)S(=O)(=O)C3=CC=CC=C3.C(=O)(C(=O)O)O

IUPAC Name

2-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]-N,N-dimethylethanamine;oxalic acid

InChIKey

BLSWAEGCRSFTJG-UHFFFAOYSA-N

INCHI

1S/C19H22N2O3S.C2H2O4/c1-20(2)12-11-15-14-21(19-10-9-16(24-3)13-18(15)19)25(22,23)17-7-5-4-6-8-17;3-1(4)2(5)6/h4-10,13-14H,11-12H2,1-3H3;(H,3,4)(H,5,6)

Isomeri SMILES

CN(C)CCC1=CN(C2=C1C=C(C=C2)OC)S(=O)(=O)C3=CC=CC=C3.C(=O)(C(=O)O)O

Peso molecolare

448.5

Reaxy-Rn

8662019

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8662019&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Indoles and derivatives
      • Subclass Tryptamines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Indoles and derivatives
• Subclass: Tryptamines and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Tryptamines and derivatives
• Alternative Parents: 3-alkylindoles Benzenesulfonamides Benzenesulfonyl compounds Anisoles Alkyl aryl ethers Aralkylamines Substituted pyrroles Dicarboxylic acids and derivatives Sulfonyls Organosulfonic acids and derivatives Heteroaromatic compounds Trialkylamines Carboxylic acids Azacyclic compounds Organic oxides Carbonyl compounds Hydrocarbon derivatives
• Molecular Framework: Not available
• Substituents: Tryptamine - Benzenesulfonamide - 3-alkylindole - Benzenesulfonyl group - Indole - Anisole - Phenol ether - Alkyl aryl ether - Aralkylamine - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Substituted pyrrole - Benzenoid - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Pyrrole - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Azacycle - Carboxylic acid derivative - Carboxylic acid - Ether - Amine - Organic oxygen compound - Carbonyl group - Organic oxide - Organic nitrogen compound - Organosulfur compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as tryptamines and derivatives. These are compounds containing the tryptamine backbone, which is structurally characterized by an indole ring substituted at the 3-position by an ethanamine.
• 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

Proprietà chimiche e fisiche

• Solubilità: Solvent:DMSO, Max Conc. mg/mL: 22.42, Max Conc. mM: 50
• Peso molecolare: 448.500 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 7
• Exact Mass: 448.13 Da
• Monoisotopic Mass: 448.13 Da
• Topological Polar Surface Area: 135.000 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 597.000
• 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

Domande frequenti

What is the purity of this product?

This product is supplied at ≥96% purity (chemical assay). 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 275363-58-1, the molecular formula is C21H24N2O7S, and the molecular weight is 448.5 g/mol. InChIKey BLSWAEGCRSFTJG-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.