Progabide - ≥98% , CAS No.62666-20-0

CAS: 62666-20-0 Cat. No.: P347299 Summenformel: C₁₇H₁₆ClFN₂O₂ Molekulargewicht: 334.77 PubChem CID: 44115

QUALITÄT & REINHEIT ≥98%

Synonyms

4-[[(Z)-(4-chlorophenyl)-(3-fluoro-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]butanamide|Progabide, (Z)-|4-[[(Z)-(4-chlorophenyl)-(3-fluoro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methyl]amino]butanamide;Progabide|Progabidum|Progabide (USAN/INN)|PROGABIDE [MART.]|Progabida [INN-Spanish]|4-[[(E)-(4-chlorophenyl)-(3-fluoro-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]butanamide|4-[[(4-chlorophenyl)-(5-fluoro-2-hydroxyphenyl)methylidene]amino]butanamide|PROGABIDE [USAN]|Gabren (TN)|Butanamide, 4-(((4-chlorophenyl)(5-fluoro-2-hydroxyphenyl)methylene)amino)-, (Z)-|Progabide [USAN:INN:BAN]|SL 76002|Progabide|PROGABIDE [INN]|4-[(4-chlorophenyl) (5-fluoro-2-hydroxy-phenyl)-methylene]amino butanamide|4-[[(4-chlorophenyl)( 5-fluoro-2-hydroxyphenyl)-methylene]amino ]butanamide|Halogabide|BUTANAMIDE, 4-(((4-CHLOROPHENYL)(5-FLUORO-2-HYDROXYPHENYL)METHYLENE)AMINO)-|Progabide [USAN:BAN:INN]|4-{[(4-chlorophenyl)[(1E)-3-fluoro-6-oxocyclohexa-2,4-dien-1-ylidene]methyl]amino}butanamide|Progabidum [INN-Latin]|SL-76002|Progabida|4-((.ALPHA.-(P-CHLOROPHENYL)-5-FLUOROSALICYLIDENE)AMINO)BUTYRAMIDE|Gabren|PROGABIDE [WHO-DD]|PROGABIDE [MI]|Gabrene|4-(alpha-(p-Chlorophenyl)-5-fluoro-2-hydroxybenzylideneamino)butyramide|(Z)-4-(((4-Chlorophenyl)(5-fluoro-2-hydroxyphenyl)methylene)amino)butanamide|4-((alpha-(p-Chlorophenyl)-5-fluorosalicylidene)amino)butyramide

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

Progabide is an analog and prodrug of gamma-aminobutyric acid. It has potential uses in the treatment of epilepsy. It has agonistic activity for both the GABAA and GABAB receptors.

Spezifikationen

Synonyme

4-[[(Z)-(4-chlorophenyl)-(3-fluoro-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]butanamide | Progabide, (Z)- | 4-[[(Z)-(4-chlorophenyl)-(3-fluoro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methyl]amino]butanamide;Progabide | Progabidum | Progabide (USAN/INN) | PROGABIDE [MART.] | Progabida [INN-Spanish] | 4-[[(E)-(4-chlorophenyl)-(3-fluoro-6-ox Show more

Spezifikationen & Reinheit

≥98%

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

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

Reinheit

≥98%

Produkteigenschaften

pKa

pKa: 10.33 (Predicted)

Ki-Daten

GABA-A receptor; anion channel: Ki= 14 μM (rat); GABA-A receptor; anion channel: Ki= 40 μM (human)

Namen und Kennungen

Pubchem Sid

528772018

Kanonisches Lächeln

C1=CC(=CC=C1C(=NCCCC(=O)N)C2=C(C=CC(=C2)F)O)Cl

IUPAC Name

4-[[(4-chlorophenyl)-(5-fluoro-2-hydroxyphenyl)methylidene]amino]butanamide

InChIKey

IBALRBWGSVJPAP-UHFFFAOYSA-N

INCHI

1S/C17H16ClFN2O2/c18-12-5-3-11(4-6-12)17(21-9-1-2-16(20)23)14-10-13(19)7-8-15(14)22/h3-8,10,22H,1-2,9H2,(H2,20,23)

Isomere SMILES

C1=CC(=CC=C1C(=NCCCC(=O)N)C2=C(C=CC(=C2)F)O)Cl

PubChem CID

44115

Molekulargewicht

334.77

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Diphenylmethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylmethanes
• Alternative Parents: Gamma amino acids and derivatives P-fluorophenols 1-hydroxy-2-unsubstituted benzenoids Chlorobenzenes Fluorobenzenes Aryl chlorides Aryl fluorides Fatty amides Secondary ketimines Azomethines Primary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organochlorides Organofluorides Organopnictogen compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylmethane - Gamma amino acid or derivatives - 4-fluorophenol - 4-halophenol - 1-hydroxy-2-unsubstituted benzenoid - Chlorobenzene - Fluorobenzene - Halobenzene - Phenol - Aryl chloride - Aryl fluoride - Aryl halide - Fatty acyl - Fatty amide - Azomethine - Secondary ketimine - Carboxamide group - Ketimine - Primary carboxylic acid amide - Carboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Imine - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organochloride - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organofluoride - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
• 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: Soluble in chloroform, DMSO, and methanol.
• Brechungsindex: n20D1.61 (Predicted)
• Siedepunkt (°C): ~558.1° C at 760 mmHg (Predicted)
• Schmelzpunkt (°C): 135-137° C
• Molekulargewicht: 334.800 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 334.088 Da
• Monoisotopic Mass: 334.088 Da
• Topological Polar Surface Area: 75.700 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 425.000
• 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