Grundinformationen
- Standard-SMILES
CCOC(=O)[C@@H](N)Cc1ccc(-c2cc(O[C@H](c3ccc(Cl)cc3-n3ccc(C)n3)C(F)(F)F)nc(N)n2)cc1.O=C(O)CNC(=O)c1ccccc1- InChIKey
XSFPZBUIBYMVEA-CELUQASASA-N- Summenformel
- C36H35ClF3N7O6
- Durchschnittliche Molmasse
- 754,2 g/mol
Überblick
Telotristat Etiprate is an orally bioavailable, small-molecule, tryptophan hydroxylase (TPH) inhibitor prodrug, with potential antiserotonergic activity. Upon administration, telotristat etiprate is converted to its active moiety, telotristat (LP-778902), which binds to and blocks the activity of TPH. This may result in a reduction in peripheral serotonin (5-HT) production and improvement of serotonin-mediated gastrointestinal effects such as severe diarrhea. TPH, the rate-limiting enzyme in serotonin biosynthesis, is overexpressed in carcinoid tumor cells.
Namen und Bezeichner
- Bevorzugter Name
- Telotristat Etiprate
- IUPAC
- 2-benzamidoacetic acid;ethyl (2S)-2-amino-3-[4-[2-amino-6-[(1R)-1-[4-chloro-2-(3-methylpyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]pyrimidin-4-yl]phenyl]propanoate
Namen und Synonyme
Telotristat etiprate1137608-69-5LX1606 HippurateLX1032 hippurateTelotristat ethyl hippurateLX-1606 HippurateLX 1032 HIPPURATE3T25U84H4ULX-1032 HIPPURATEETHYL 4-(2-AMINO-6-((1R)-1-(4-CHLORO-2-(3-METHYL-1H-PYRAZOL-1-YL)PHENYL)-2,2,2-TRIFLUOROETHOXY)PRYRIMIDIN-4-YL)-L-PHENYLALANINATE N-BENZOYLGLYCINATE (1:1)RefChem:57927DTXCID101513443
Weitere Namen anzeigen
DTXSID701027870LX 1606 HippurateTelotristat etiprate [USAN]1137608-69-5 (etiprate)UNII-3T25U84H4UMFCD227415204-[2-Amino-6-[(1R)-1-[4-chloro-2-(3-methyl-1H-pyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]-4-pyrimidinyl]-L-phenylalanine ethyl ester N-benzoylglycine saltXermelo (TN)
Datenbank-Bezeichner
- CAS
1137608-69-5- PubChem CID
- 25253377
- ChEMBL
CHEMBL3348963- UNII
- 3T25U84H4U
- EC Number
- 812-364-5
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 198 Ų
- H-Brücken-Donoren
- 4
- H-Brücken-Akzeptoren
- 14
- Frei drehbare Bindungen
- 13
- Schwere Atome
- 53
- Formalladung
- 0
- Komplexität
- 1.020
Experimentelle und physikochemische Eigenschaften
Human Drugs
FDA approved drugs -> Active ingredient
EMA approved medicines: Human medicine (Orphan designations)
FDA approved drugs -> Active ingredient
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS ClassificationNot Classified
Gefahrenhinweise
Hazard Classes and CategoriesNot Classified
Toxikologische Informationen
Drug Induced Liver Injury
Drug Induced Liver Injury Rank (DILIrank 2.0)
Telotristat etiprate
Ambiguous-DILI-concern
3
Adverse reactions
DOI:10.1016/j.drudis.2016.02.015
Zugehörige Reaktionen
2
Verknüpfte Notizen
Wird geladen…