(3-Aminopropyl)(n-butyl)phosphinic acid
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Grundinformationen
- CAS
123690-78-8- Standard-SMILES
CCCCP(=O)(O)CCCN- InChIKey
ONNMDRQRSGKZCN-UHFFFAOYSA-N- Summenformel
- C7H18NO2P
- Durchschnittliche Molmasse
- 179,2 g/mol
Überblick
SGS-742 has been used in trials studying the treatment of Seizures and Metabolic Disease.
Namen und Bezeichner
- Bevorzugter Name
- (3-Aminopropyl)(n-butyl)phosphinic acid
- IUPAC
- 3-aminopropyl(butyl)phosphinic acid
- Englischer Name
- P-(3-aMinopropyl)-P-butyl-Phosphinic acid
- Summenformel
- C7H18NO2P
- Molmasse
- 179.2
Namen und Synonyme
Cgp 36742123690-78-8SGS-742Cgp-36742(3-Aminopropyl)(n-butyl)phosphinic acidCGP36742SGS742SGS 742GBZ5UC0RMELu-AE-584793-aminopropyl-butylphosphinic acid(3-aminopropyl)(butyl)phosphinic acid
Weitere Namen anzeigen
DVD-742Lu-AE58479CGP 36742(SGS-742)CGP36742 >=97% (NMR)P-(3-aMinopropyl)-P-butyl-Phosphinic acid
DTXSID101540633-aminopropyl-n-butyl phosphinic acidRefChem:69095DTXCID40765543-aminopropyl(butyl)phosphinic acidPhosphinic acid, P-(3-aminopropyl)-P-butyl-CHEMBL112797145537-81-1
Datenbank-Bezeichner
- CAS
123690-78-8、145537-81-1- PubChem CID
- 130021
- DTXSID
DTXSID10154063- ChEMBL
CHEMBL112797- UNII
- GBZ5UC0RME
- EC Number
- 802-883-5
- Nikkaji
- J524.597D
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- -2,7
- Polarare Oberfläche (TPSA)
- 63,3 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 6
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 138
Experimentelle und physikochemische Eigenschaften
DrugsPharmaceuticals -> Listed in ZINC15
Physikochemische Eigenschaften
- Siedepunkt
- 383.9 · 383.9±25.0 °C(Predicted)
- Dichte
- 1.057 · 1.057±0.06 g/cm3(Predicted)
- storage temp.
- room temp
- Löslichkeit
- 2 O: · H2O: soluble10mg/mL (clear solution, warmed)
- Aggregatzustand
- powder
- pka
- 2.91 · 2.91±0.50(Predicted)
- Farbe
- white to beige
- Wasserlöslichkeit
- 2 O: · H2O: 10mg/mL (clear solution, warmed)
- InChI
- 1S/C7H18NO2P/c1-2-3-6-11(9,10)7-4-5-8/h2-8H2,1H3,(H,9,10)
- InChIKey
- ONNMDRQRSGKZCN-UHFFFAOYSA-N
- SMILES
- CCCCP(O)(=O)CCCN
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Sicherheitsdaten
- wgk
- 3
- RTECS-Nr.
- SZ4113300
- risk_code
- 22-36
- hazard_code
- Xn
- safety_code
- 26
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2
Chemie und Industrie
Pharmakologische Informationen
Mechanism of Action
SGS742 blocks the late inhibitory postsynaptic potential and the paired-pulse inhibition of population spikes recorded from CA1 pyramidal neurons of the hippocampus of rats in vitro and in vivo. SGS742 significantly enhances the release of glutamate, aspartate, glycine and somatostatin in vivo. Chronic administration of SGS742 causes an up-regulation of GABA(B) receptors in the frontal cortex of rats. Single doses cause a significant enhancement of the mRNA and protein levels of NGF and BDNF in the cortex and hippocampus of rats.
Biological Half-Life4 hours
MeSH Pharmacological Classification
Drugs intended to prevent damage to the brain or spinal cord from ischemia, stroke, convulsions, or trauma. Some must be administered before the event, but others may be effective for some time after. They act by a variety of mechanisms, but often directly or indirectly minimize the damage produced by endogenous excitatory amino acids.
Drugs that bind to but do not activate GABA RECEPTORS, thereby blocking the actions of endogenous GAMMA-AMINOBUTYRIC ACID and GABA RECEPTOR AGONISTS.
Zugehörige Reaktionen
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