ChemicalBook--->CAS DataBase List--->162359-55-9

162359-55-9

162359-55-9 Structure

162359-55-9 Structure
IdentificationBack Directory
[Name]

Gilenia
[CAS]

162359-55-9
[Synonyms]

Gilenia
Fingolise
fingolimo
fenogliMod
Fingolimod
FingoliMod-D4
FingoliMod Base
Gilenia USP/EP/BP
Gilenya(Fingolise)
Fingolimod(FTY720)
Gilenia, Fingolimod
2-amino-2-(4-octylphenethyl)propane-1,3-diol
2-Amino-2-[2-(4-octylphenyl)ethyl]-1,3-propandiol
2-Amino-2-[2-(4-octylphenyl)ethyl]propane-1,3-diol
1,3-Propanediol,2-aMino-2-[2-(4-octylphenyl)ethyl]-
[EINECS(EC#)]

1308068-626-2
[Molecular Formula]

C19H33NO2
[MDL Number]

MFCD14705150
[MOL File]

162359-55-9.mol
[Molecular Weight]

307.47
Chemical PropertiesBack Directory
[Melting point ]

103-105°
[Boiling point ]

479.5±45.0 °C(Predicted)
[density ]

1.016
[storage temp. ]

Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
[solubility ]

Chloroform (Very Slightly, Heated), DMSO (Slightly, Heated), Methanol (Slightly,
[form ]

Solid
[pka]

12.20±0.20(Predicted)
[color ]

Off-White
[InChI]

InChI=1S/C19H33NO2/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-22/h9-12,21-22H,2-8,13-16,20H2,1H3
[InChIKey]

KKGQTZUTZRNORY-UHFFFAOYSA-N
[SMILES]

C(O)C(N)(CCC1=CC=C(CCCCCCCC)C=C1)CO
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335-H402-H412
[Precautionary statements ]

P261-P264-P271-P273-P280-P302+P352-P304+P340-P305+P351+P338-P312-P321-P362+P364-P332+P313-P337+P313-P403+P233-P405-P501
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Aquatic Acute 1
Aquatic Chronic 1
Repr. 2
Skin Irrit. 2
STOT RE 2
Hazard InformationBack Directory
[Chemical Properties]

white solid
[Uses]

Prophylaxis of organ rejection in patients receiving allogenic renal transplants (sphingosine-1-phosphate receptor).
[Definition]

ChEBI: An aminodiol that consists of propane-1,3-diol having amino and 2-(4-octylphenyl)ethyl substituents at the 2-position. It is a sphingosine 1-phosphate receptor modulator used for the treatment of relapsing-remitting multiple sclerosis. A prodrug, fingolimo is phosphorylated by sphingosine kinase to active metabolite fingolimod-phosphate, a structural analogue of sphingosine 1-phosphate.
[Clinical Use]

Sphingosine 1-phosphate receptor modulator:
Treatment of highly active relapsing-remitting multiple sclerosis
[Drug interactions]

Potentially hazardous interactions with other drugs
Anti-arrhythmics: possible increased risk of bradycardia with amiodarone, disopyramide and dronedarone.
Antifungals: concentration increased by ketoconazole.
Beta-blockers: possibly increased risk of bradycardia.
Calcium channel blockers: possible increased risk of bradycardia with diltiazem and verapamil.
[Metabolism]

Transformed by reversible stereoselective phosphorylation to the pharmacologically active (S)-enantiomer of fingolimod phosphate. It is eliminated by oxidative biotransformation mainly via the cytochrome P450 4F2 isoenzyme and subsequent fatty acid-like degradation to inactive metabolites, and by formation of pharmacologically inactive non-polar ceramide analogues of fingolimod. The main enzyme involved in the metabolism of fingolimod is partially identified and may be either CYP4F2 or CYP3A4. 81% excreted as inactive metabolites in the urine and <2.5% in the faeces as metabolites and unchanged drug.
Spectrum DetailBack Directory
[Spectrum Detail]

Gilenia(162359-55-9)1HNMR
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