(R)-(-)-2-propyloctanoic acid

HCID 208925CAS 185517-21-9

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Grundinformationen

Standard-SMILES: CCCCCC[C@@H](CCC)C(=O)O
InChIKey: YCYMCMYLORLIJX-SNVBAGLBSA-N
Summenformel: C11H22O2
Durchschnittliche Molmasse: 186,29 g/mol
Monoisotopische Masse: 186,16197994

Überblick

Arundic acid has been investigated for the treatment of Amyotrophic Lateral Sclerosis (ALS).

Namen und Bezeichner

Bevorzugter Name: (R)-(-)-2-propyloctanoic acid
IUPAC: (2R)-2-propyloctanoic acid
Englischer Name: (R)-2-PROPYLOCTANOIC ACID
Summenformel: C11H22O2
Molmasse: 186.29

Namen und Synonyme

(R)-(-)-2-Propyloctanoic AcidRefChem:560127Arundic acid185517-21-9(R)-2-PROPYLOCTANOIC ACID(2R)-2-Propyloctanoic acidCereactProgliaR-(-)-Arundic AcidONO-2506Acide arundiqueONO 2506

Weitere Namen anzeigen

ONO 2506POarundicaciArundic Acid, 10 mM in DMSO

Acidum arundicumArundic acid [INN]MFCD08458423MK-0724Acidum arundicum [INN-Latin]ONO-2506POUNII-F2628ZD0FOF2628ZD0FO

Datenbank-Bezeichner

CAS: 185517-21-9
PubChem CID: 208925
DTXSID: DTXSID5048841
ChEMBL: CHEMBL3187683
UNII: F2628ZD0FO
Nikkaji: J977.037B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,7
Polarare Oberfläche (TPSA): 37,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 8
Schwere Atome: 13
Formalladung: 0
Komplexität: 132

Experimentelle und physikochemische Eigenschaften

DrugsPharmaceuticals -> Listed in ZINC15

Physikochemische Eigenschaften

Siedepunkt: 289 ℃ · 289℃
Dichte: 0.908 · 0.908
Flammpunkt: 154 ℃ · 154℃
storage temp.: Refrigerator
Löslichkeit: Chloroform (Slightly), Ethanol (Slightly), Ethyl Acetate (Slightly)
Aggregatzustand: Oil
pka: 4.82 · 4.82±0.40(Predicted)
Farbe: Clear Colorless to Clear Pale Yellow
InChI: 1S/C11H22O2/c1-3-5-6-7-9-10(8-4-2)11(12)13/h10H,3-9H2,1-2H3,(H,12,13)/t10-/m1/s1
InChIKey: YCYMCMYLORLIJX-SNVBAGLBSA-N
SMILES: OC(=O)[C@@H](CCCCCC)CCC

Sicherheit und Regulatorisches

Sicherheitsdaten

wgk: WGK 3
Speicherklasse: 11 - Combustible Solids

Chemie und Industrie

Pharmakologische Informationen

Mechanism of Action · 1 Eintrag

ONO-256 is a neuroprotective because of its actions on glia cells. It has inhibitory effects on the synthesis of a calcium-binding protein S100B. ONO-2506 is undergoing clinical trials for the treatment of patients with stroke and Alzheimer's disease.

Anwendungen · 2 Einträge

BeschreibungArundic acid is an inhibitor of astrocyte activation. It reduces increases in brain glial fibrillary acid protein (GFAP) and S100β levels, markers of astrocyte activation, in a rat model of permanent focal ischemia induced by middle cerebral artery occlusion when administered at a dose of 10 mg/kg. Arundic acid (3 and 10 mg/kg) decreases the number of TUNEL-positive neurons, reduces infarct size, and improves motor performance in the rotarod test in the same model. It also reduces descent time and time to turn in a pole test, indicating reversal of motor deficits, in a mouse model of MPTP-induced Parkinson''s disease when administered at a dose of 30 mg/kg.

VerwendenAn astrocyte modulating agent, in acute ischemic stroke.