Selurampanel , Glutamate receptor ionotropic kainate antagonist, CAS No.912574-69-7, Glutamate receptor ionotropic kainate antagonist

CAS: 912574-69-7 Cat. No.: S671193 Molecular Weight: 377.4 PubChem CID: 45381907

Synonyms

Selurampanel | DTXSID00238467 | UNII-7WG1MR7DAR | HY-105860 | Selurampanel [INN] | DB12367 | SELURAMPANEL [WHO-DD] | N-[6-(2-methylpyrazol-3-yl)-2,4-dioxo-7-propan-2-yl-1H-quinazolin-3-yl]methanesulfonamide | AKOS032946688 | BGG 492 | Q21098868 | 7WG1MR7D

Storage

Room temperature

Specifications

Synonyms

Selurampanel | DTXSID00238467 | UNII-7WG1MR7DAR | HY-105860 | Selurampanel [INN] | DB12367 | SELURAMPANEL [WHO-DD] | N-[6-(2-methylpyrazol-3-yl)-2, 4-dioxo-7-propan-2-yl-1H-quinazolin-3-yl]methanesulfonamide | AKOS032946688 | BGG 492 | Q21098868 | 7WG1MR7D

Storage

Room temperature

Action Type

ANTAGONIST

Mechanism of action

Glutamate receptor ionotropic kainate antagonist

Product Properties

• ALogP: 1

Names and Identifiers

• Canonical Smiles: CC(C)C1=C(C=C2C(=C1)NC(=O)N(C2=O)NS(=O)(=O)C)C3=CC=NN3C
• IUPAC Name: N-[6-(2-methylpyrazol-3-yl)-2,4-dioxo-7-propan-2-yl-1H-quinazolin-3-yl]methanesulfonamide
• InChIKey: MCECSFFXUPEPDB-UHFFFAOYSA-N
• INCHI: 1S/C16H19N5O4S/c1-9(2)10-8-13-12(7-11(10)14-5-6-17-20(14)3)15(22)21(16(23)18-13)19-26(4,24)25/h5-9,19H,1-4H3,(H,18,23)
• Isomeric SMILES: CC(C)C1=C(C=C2C(=C1)NC(=O)N(C2=O)NS(=O)(=O)C)C3=CC=NN3C
• PubChem CID: 45381907
• Molecular Weight: 377.4

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Diazanaphthalenes
      • Subclass Benzodiazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazanaphthalenes
• Subclass: Benzodiazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Quinazolines
• Alternative Parents: Cumenes Pyrimidones Sulfonohydrazides Hydrazinosulfonyl compounds Vinylogous amides Pyrazoles Heteroaromatic compounds Lactams Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinazoline - Cumene - Pyrimidone - Pyrimidine - Benzenoid - Hydrazinosulfonyl compound - Sulfonohydrazide - Azole - Pyrazole - Heteroaromatic compound - Vinylogous amide - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Lactam - Azacycle - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as quinazolines. These are compounds containing a quinazoline moiety, which is made up of two fused six-member aromatic rings, a benzene ring and a pyrimidine 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

Chemical and Physical Properties

• Molecular Weight: 377.400 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 377.116 Da
• Monoisotopic Mass: 377.116 Da
• Topological Polar Surface Area: 122.000 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 677.000
• 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