Gpi-1485

HCID 9837656CAS 186268-78-0

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Grundinformationen

Standard-SMILES: CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)O
InChIKey: FOPALECPEUVCTL-QMMMGPOBSA-N
Summenformel: C12H19NO4
Durchschnittliche Molmasse: 241,28 g/mol
Monoisotopische Masse: 241,13140809

Überblick

GPI 1485 is a product candidate that belongs to a class of small molecule compounds called neuroimmunophilin ligands. In preclinical experiments, neuroimmunophilin ligands have been shown to repair and regenerate damaged nerves without affecting normal, healthy nerves. GPI 1485 is being studied in phase 2 clinical trials for the treatment of Parkinson's disease and post-prostatectomy erectile dysfunction and in pre-clinical development for HIV related dementia and neuropathy.

Namen und Bezeichner

Bevorzugter Name: Gpi-1485
IUPAC: (2S)-1-(3,3-dimethyl-2-oxopentanoyl)pyrrolidine-2-carboxylic acid
Englischer Name: (2S)-1-(1',2'-DIOXO-3',3'-DIMETHYL-PENTYL)-2-PYRROLIDINE-CARBOXYLIC ACID
Summenformel: C12H19NO4
Molmasse: 241.28

Namen und Synonyme

186268-78-0GPI-1485GPI 1485L-Proline, 1-(3,3-dimethyl-1,2-dioxopentyl)-(2S)-1-(1,2-DIOXO-3,3-DIMETHYLPENTYL)-2-PYRROLIDINECARBOXYLIC ACIDUNII-0709BVY57W0709BVY57W1-(1,2-Dioxo-3,3-dimethylpentyl)-2-pyrrolidine carboxylic acid, 2S(2S)-1-(3,3-DIMETHYL-2-OXOPENTANOYL)-2-PYRROLIDINECARBOXYLIC ACIDNIL-A cpdNIL-A1 cpdNIL-A2 cpd

Weitere Namen anzeigen

GPI-1485 LGPI-1485, 10 mM in DMSO(2S)-1-(3,3-Dimethyl-2-oxopentanoyl)-pyrrolidine-2-carboxylic acid(2S)-1-(1',2'-DIOXO-3',3'-DIMETHYL-PENTYL)-2-PYRROLIDINE-CARBOXYLIC ACIDneurofunctional,regeneration,Inhibitor,ligand,stroke,GPI-1485,GPI 1485,inhibit,immunophilin,neural,GM 1485,GM-1485,GPI1485

NIL-A3 cpdRefChem:144222GPI1485GM1485848859-43-8(2S)-1-(3,3-dimethyl-2-oxopentanoyl)pyrrolidine-2-carboxylic acid(S)-1-(3,3-Dimethyl-2-oxopentanoyl)pyrrolidine-2-carboxylic acidMFCD02179274

Datenbank-Bezeichner

CAS: 186268-78-0
PubChem CID: 9837656
DTXSID: DTXSID601379870
ChEMBL: CHEMBL4297382
UNII: 0709BVY57W
EC Number: 696-220-5
Nikkaji: J1.264.897I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,5
Polarare Oberfläche (TPSA): 74,7 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 4
Schwere Atome: 17
Formalladung: 0
Komplexität: 348

Experimentelle und physikochemische Eigenschaften

DrugsPharmaceuticals -> Listed in ZINC15

Physikochemische Eigenschaften

Siedepunkt: 386.2 · 386.2±52.0 °C(Predicted)
Dichte: 1.188 · 1.188±0.06 g/cm3(Predicted)
storage temp.: -20 °C · Store at -20°C
Löslichkeit: Soluble in DMSO
pka: 3.25 · 3.25±0.20(Predicted)
Aggregatzustand: Solid
Farbe: White to light yellow

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Sicherheitsdaten

hs_code: 2933998090

Chemie und Industrie

Pharmakologische Informationen

Mechanism of Action · 1 Eintrag

GPI 1485 belongs to a class of small molecule compounds called neuroimmunophilin ligands which are a family of binding proteins that are highly conserved in nature and mediate the actions of immunosuppressant drugs. The FK-506-binding protein (FKBP) subclass of immunophilin bind FK-506 and rapamycin and are of particular interest due to their potent neurotrophic activity.