SR-95531 - ≥98%(HPLC) , CAS No.104104-50-9

CAS: 104104-50-9 Cat. No.: S165603 Peso molecular: 368.23 PubChem CID: 107895

GRADE & PURITY ≥98%(HPLC)

Synonyms

4-16-00-00232 (Beilstein Handbook Reference) | SR 95531 HYDROBROMIDE | C15H17N3O3.HBr | J-001107 | AKOS024456498 | 6-Amino-5-methyl-3-(4-methoxyphenyl)-1-pyridaziniumbutyric acid Br | BS43265 | 6-Imino-3-(4-methoxyphenyl)-1(6H)-pyridazinebutanoic acid mon

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

4-16-00-00232 (Beilstein Handbook Reference) | SR 95531 HYDROBROMIDE | C15H17N3O3.HBr | J-001107 | AKOS024456498 | 6-Amino-5-methyl-3-(4-methoxyphenyl)-1-pyridaziniumbutyric acid Br | BS43265 | 6-Imino-3-(4-methoxyphenyl)-1(6H)-pyridazinebutanoic acid mon

Especificaciones y pureza

≥98%(HPLC)

Mecanismos bioquímicos y fisiológicos

SR-95531 is a specific GABAA receptor antagonist that does not affect GABA-transaminase or glutamate-decarboxylase activities.

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Nota

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Pureza

≥98%(HPLC)

Nombres e identificadores

• Pubchem Sid: 504756637
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504756637
• Sonrisas canónicas: COC1=CC=C(C=C1)C2=NN(C(=N)C=C2)CCCC(=O)O.Br
• IUPAC Name: 4-[6-imino-3-(4-methoxyphenyl)pyridazin-1-yl]butanoic acid;hydrobromide
• InChIKey: GFZHNFOGCMEYTA-UHFFFAOYSA-N
• INCHI: 1S/C15H17N3O3.BrH/c1-21-12-6-4-11(5-7-12)13-8-9-14(16)18(17-13)10-2-3-15(19)20;/h4-9,16H,2-3,10H2,1H3,(H,19,20);1H
• Isómeros SMILES: COC1=CC=C(C=C1)C2=NN(C(=N)C=C2)CCCC(=O)O.Br
• WGK Alemania: 3
• PubChem CID: 107895
• Peso molecular: 368.23

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Diazines
      • Subclass Pyridazines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Diazines
• Subclass: Pyridazines and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyridazines
• Alternative Parents: Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Imidolactams Heteroaromatic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Hydrobromides Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylpyridazine - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Imidolactam - Heteroaromatic compound - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Azacycle - Organic oxide - Hydrobromide - Organic oxygen compound - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenylpyridazines. These are organic compounds containing a pyridazine ring substituted by 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

Propiedades químicas y físicas

• Peso molecular: 368.230 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 367.053 Da
• Monoisotopic Mass: 367.053 Da
• Topological Polar Surface Area: 86.000 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 451.000
• 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