4-[[3-[(2S)-2-amino-2-carboxyethyl]-5-iodo-2,6-dioxopyrimidin-1-yl]methyl]benzoic acid
Grundinformationen
- CAS
569371-10-4- Standard-SMILES
N[C@@H](Cn1cc(I)c(=O)n(Cc2ccc(C(=O)O)cc2)c1=O)C(=O)O- InChIKey
JHSYCOCOIYSZGI-NSHDSACASA-N- Summenformel
- C15H14IN3O6
- Durchschnittliche Molmasse
- 459,19 g/mol
Namen und Bezeichner
- Bevorzugter Name
- 4-[[3-[(2S)-2-amino-2-carboxyethyl]-5-iodo-2,6-dioxopyrimidin-1-yl]methyl]benzoic acid
- IUPAC
- 4-[[3-[(2S)-2-amino-2-carboxyethyl]-5-iodo-2,6-dioxopyrimidin-1-yl]methyl]benzoic acid
- Englischer Name
- (αS)-alpha-amino-3-[(4-carboxyphenyl)methyl]-3,4-dihydro-5-iodo-2,4-dioxo-1(2H)-pyrimidinepropanoic acid
- Summenformel
- C15H14IN3O6
- Molmasse
- 459.19
Namen und Synonyme
569371-10-4UBP 301UBP3014-[[3-[(2S)-2-amino-2-carboxyethyl]-5-iodo-2,6-dioxopyrimidin-1-yl]methyl]benzoic acidCHEMBL200309(AS)-alpha-AMINO-3-[(4-CARBOXYPHENYL)METHYL]-3,4-DIHYDRO-5-IODO-2,4-DIOXO-1(2H)-PYRIMIDINEPROPANOIC ACIDNCGC00025285-01Tocris-1766orb1703951SCHEMBL29651461C15H14IN3O6BDBM50178146
Weitere Namen anzeigen
UBP-301,UBP301(aS)-a-Amino-3-((4-carboxyphenyl)methyl)-3,4-dihydro-5-iodo-2,4-dioxo-1(2H)-pyrimidinepropanoicacid(αS)-α-Amino-3-[(4-carboxyphenyl)methyl]-3,4-dihydro-5-iodo-2,4-dioxo-1(2H)-pyrimidinepropanoicacid(αS)-alpha-amino-3-[(4-carboxyphenyl)methyl]-3,4-dihydro-5-iodo-2,4-dioxo-1(2H)-pyrimidinepropanoic acid1(2H)-Pyrimidinepropanoic acid, α-amino-3-[(4-carboxyphenyl)methyl]-3,4-dihydro-5-iodo-2,4-dioxo-, (αS)-(alphaS)-alpha-Amino-3-[(4-carboxyphenyl)methyl]-3,4-dihydro-5-iodo-2,4-dioxo-1(2H)-pyrimidinepropanoic acid
EX-A14637MFCD06411591AKOS024456767DA-58852MS-33194HY-107606CS-0028947T23489
Datenbank-Bezeichner
- CAS
569371-10-4- ChEMBL
CHEMBL200309
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -2,5
- Polarare Oberfläche (TPSA)
- 141 Ų
- H-Brücken-Donoren
- 3
- H-Brücken-Akzeptoren
- 7
- Frei drehbare Bindungen
- 6
- Schwere Atome
- 25
- Formalladung
- 0
- Komplexität
- 614
Physikochemische Eigenschaften
- Schmelzpunkt
- 214.1 · 214.1-214.4 °C(Solv: water (7732-18-5))
- Siedepunkt
- 636.1 · 636.1±65.0 °C(Predicted)
- Dichte
- 1.98 · 1.98±0.1 g/cm3(Predicted)
- storage temp.
- 4 °C · Store at +4°C
- Löslichkeit
- 0.5 mg/ml · DMSO: 0.5 mg/ml (w/ gentle warming)
- Aggregatzustand
- A crystalline solid
- pka
- 2.12 · 2.12±0.10(Predicted)
Chemie und Industrie
Anwendungen
BeschreibungUBP 301 is an antagonist of the kainate receptor, an ionotropic glutamate receptor (apparent Kd = 5.94 μM). It displays ~30-fold selectivity over AMPA receptors. UBP 301 is used to assess the roles of kainate receptors in neuronal signaling, particularly in reference to neuropathic pain.
VerwendenUBP 301 is an antagonist of kainate receptors. UBP 301 is the N3-4-carboxybenzyl substituted analog II of Willardiine, which was found to be equipotent at AMPA and GLUK5-containing kainate receptors in the neonatal rat spinal cord.
Zugehörige Reaktionen
0
Keine Reaktionsaufzeichnungen unter den aktuellen Filterkriterien.
Notizen zur Verbindung
Wird geladen…