Indiplon

HCID 6450813

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Grundinformationen

CAS: 325715-02-4
Standard-SMILES: CC(=O)N(C)c1cccc(-c2ccnc3c(C(=O)c4cccs4)cnn23)c1
InChIKey: CBIAWPMZSFFRGN-UHFFFAOYSA-N
Summenformel: C20H16N4O2S
Durchschnittliche Molmasse: 376,4 g/mol
Monoisotopische Masse: 376,09939694

Namen und Bezeichner

Bevorzugter Name: Indiplon
IUPAC: N-methyl-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]acetamide
Englischer Name: Indiplon
Summenformel: C20H16N4O2S
Molmasse: 376.43

Namen und Synonyme

Indiplon325715-02-4NBI-34060CalenthysN-methyl-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]acetamide8BT63DA42EIndiploneN-methyl-N-(3-(3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl)phenyl)acetamideCL-285489DTXSID80186270N-methyl-N-{3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl}acetamideindiplonum

Weitere Namen anzeigen

CS-779CL 285,489)Unii-8bt63da42eIndiplon (NBI 34060AcetaMide,N-Methyl-N-[3-[3-(2-thienylcarbonyl)pyrazolo[1,5-a]pyrN-Methyl-N-[3-[3-[2-thienylcarbonyl]pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]acetamideN-Methyl-N-[3-[3-(thien-2-ylcarbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]acetamide

N-methyl-N-(3-(3-((thiophen-2-yl)carbonyl)pyrazolo(1,5-a)pyrimidin-7-yl)phenyl)acetamideN-methyl-N-(3-(3-(thiophene-2-carbonyl)pyrazolo(1,5-a)pyrimidin-7-yl)phenyl)acetamideN-methyl-N-(3-{3-[(thiophen-2-yl)carbonyl]pyrazolo[1,5-a]pyrimidin-7-yl}phenyl)acetamideRefChem:790919DTXCID90108761Indiplon-d3NBI 34060Indiplon [USAN:INN]

Datenbank-Bezeichner

CAS: 325715-02-4
PubChem CID: 6450813
DTXSID: DTXSID80186270
ChEMBL: CHEMBL262075
ChEBI: CHEBI:188583
UNII: 8BT63DA42E
EC Number: 608-755-3
Nikkaji: J1.855.248E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,3
Polarare Oberfläche (TPSA): 95,8 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 4
Schwere Atome: 27
Formalladung: 0
Komplexität: 574

Physikochemische Eigenschaften

Schmelzpunkt: 192 oC · >192oC (dec.)
Dichte: 1.35 · 1.35±0.1 g/cm3(Predicted)
storage temp.: 4 °C · Store at +4°C
Löslichkeit: Chloroform (Slightly), Ethyl Acetate (Slightly, Heated)
pka: -1.42 · -1.42±0.50(Predicted)
Aggregatzustand: Solid
Farbe: Light Yellow to Dark Yellow
InChI: 1S/C20H16N4O2S/c1-13(25)23(2)15-6-3-5-14(11-15)17-8-9-21-20-16(12-22-24(17)20)19(26)18-7-4-10-27-18/h3-12H,1-2H3
InChIKey: CBIAWPMZSFFRGN-UHFFFAOYSA-N
SMILES: [s]1c(ccc1)C(=O)c2c3[n](nc2)C(=CC=N3)c4cc(ccc4)N(C)C(=O)C

Sicherheit und Regulatorisches

Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.

Sicherheitsdaten

wgk: WGK 3
Speicherklasse: 11 - Combustible Solids

Chemie und Industrie

Pharmakologische Informationen

Metabolism/MetabolitesIndiplon has known human metabolites that include N-Desmethylindiplon.

MeSH Pharmacological Classification · 2 Einträge

Drugs used to induce drowsiness or sleep or to reduce psychological excitement or anxiety.

Substances that do not act as agonists or antagonists but do affect the GAMMA-AMINOBUTYRIC ACID receptor-ionophore complex. GABA-A receptors (RECEPTORS, GABA-A) appear to have at least three allosteric sites at which modulators act: a site at which BENZODIAZEPINES act by increasing the opening frequency of GAMMA-AMINOBUTYRIC ACID-activated chloride channels; a site at which BARBITURATES act to prolong the duration of channel opening; and a site at which some steroids may act. GENERAL ANESTHETICS probably act at least partly by potentiating GABAergic responses, but they are not included here.

Anwendungen · 2 Einträge

BeschreibungIndiplon is a pyrazolopyrimidine that acts as a high-affinity positive allosteric modulator of the GABAA receptor, potentiating GABA-activated chloride currents in a dose-dependent and reversible manner. Indiplon is selective for α1 subunits (EC50 = 2.6 nM) as compared with α2, α3, or α5 (EC50 = 24, 60, and 77 nM). Through this action, indiplon has sedative and hypnotic effects that can improve sleep onset, maintenance, and duration.

VerwendenIndiplon is a member of pyrimidines with sedative, hypnotic. Indiplon has been used in trials studying the treatment of Insomnia and Depression.

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