Masupirdine - ≥98% , CAS No.701205-60-9

CAS: 701205-60-9 Cat. No.: M1326272 Summenformel: C₂₁H₂₄BrN₃O₃S Molekulargewicht: 478.4 PubChem CID: 10073773

GRADE & PURITY ≥98%

Storage

Room temperature

Shipped In

Normal

Specifications

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Verschickt in

Normal

Aktionsart

ANTAGONIST

Reinheit

≥98%

Produkteigenschaften

• ALogP: 3.5

Namen und Kennungen

• Kanonisches Lächeln: CN1CCN(CC1)CC2=CN(C3=C2C=C(C=C3)OC)S(=O)(=O)C4=CC=CC=C4Br
• IUPAC Name: 1-(2-bromophenyl)sulfonyl-5-methoxy-3-[(4-methylpiperazin-1-yl)methyl]indole
• InChIKey: GWCYPEHWIZXYFZ-UHFFFAOYSA-N
• INCHI: 1S/C21H24BrN3O3S/c1-23-9-11-24(12-10-23)14-16-15-25(20-8-7-17(28-2)13-18(16)20)29(26,27)21-6-4-3-5-19(21)22/h3-8,13,15H,9-12,14H2,1-2H3
• Isomere SMILES: CN1CCN(CC1)CC2=CN(C3=C2C=C(C=C3)OC)S(=O)(=O)C4=CC=CC=C4Br
• Alternative CAS-Nummer: 701205-60-9
• PubChem CID: 10073773
• MeSH-Eintrag: 1-((2-bromophenyl)sulfonyl)-5-methoxy-3-((4-methyl-1-piperazinyl)methyl)-1H-indole dimesylate monohydrate;SUVN-502
• Molekulargewicht: 478.4

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Benzenesulfonamides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Benzenesulfonamides
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzenesulfonamides
• Alternative Parents: 3-alkylindoles Benzenesulfonyl compounds Anisoles Alkyl aryl ethers Aralkylamines N-methylpiperazines Bromobenzenes Substituted pyrroles Aryl bromides Sulfonyls Organosulfonic acids and derivatives Heteroaromatic compounds Trialkylamines Azacyclic compounds Organic oxides Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzenesulfonamide - 3-alkylindole - Benzenesulfonyl group - Indole - Indole or derivatives - Anisole - Phenol ether - Alkyl aryl ether - Bromobenzene - Halobenzene - Aralkylamine - N-alkylpiperazine - N-methylpiperazine - Aryl bromide - Aryl halide - 1,4-diazinane - Piperazine - Substituted pyrrole - Pyrrole - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Heteroaromatic compound - Tertiary amine - Tertiary aliphatic amine - Ether - Organoheterocyclic compound - Azacycle - Organosulfur compound - Organohalogen compound - Organobromide - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Amine - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.
• 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

• Molekulargewicht: 478.400 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 477.072 Da
• Monoisotopic Mass: 477.072 Da
• Topological Polar Surface Area: 63.200 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 650.000
• 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: 1