3-Nitro-L-tyrosine
Grundinformationen
- CAS
3604-79-3- Standard-SMILES
N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)C(=O)O- InChIKey
FBTSQILOGYXGMD-LURJTMIESA-N- Summenformel
- C9H10N2O5
- Durchschnittliche Molmasse
- 226,19 g/mol
- Monoisotopische Masse
- 226,05897142
Überblick
3-nitro-L-tyrosine is a 3-nitrotyrosine comprising L-tyrosine having a nitro group at the 3-position on the phenyl ring. It is a L-tyrosine derivative, a non-proteinogenic L-alpha-amino acid and a 3-nitrotyrosine. It is an enantiomer of a 3-nitro-D-tyrosine. It is a tautomer of a 3-nitro-L-tyrosine zwitterion.
Namen und Bezeichner
- Bevorzugter Name
- 3-Nitro-L-tyrosine
- IUPAC
- (2S)-2-amino-3-(4-hydroxy-3-nitrophenyl)propanoic acid
- Englischer Name
- (2S)-2-amino-3-(4-hydroxy-3-nitro-phenyl)propanoic acid
- Summenformel
- C9H10N2O5
- Molmasse
- 226.19
Namen und Synonyme
3-Nitro-L-tyrosine621-44-3H-Tyr(3-NO2)-OHL-3-NitrotyrosineL-Tyrosine, 3-nitro-Meta-Nitro-TyrosineTyrosine, 3-nitro-, L-Nitrotyrosine(2S)-2-amino-3-(4-hydroxy-3-nitrophenyl)propanoic acidH-3-Nitro-Tyr-OHMFCD00007123(S)-2-Amino-3-(4-hydroxy-3-nitrophenyl)propanoic acid
Weitere Namen anzeigen
Tyrosine, 3-nitro-3-MononitrotyrosineDL-Tyrosine, 3-nitro-2-AMino-3-(4-hydroxy-3-nitrophenyl)propanoic acid
3-Nitro-Tyrosine7COY1HA6HKCHEBI:44454DTXSID80863216(2S)-2-amino-3-(4-hydroxy-3-nitro-phenyl)propanoic acidM03246CCRIS 3566EINECS 210-688-6
Datenbank-Bezeichner
- CAS
3604-79-3、621-44-3- PubChem CID
- 65124
- DTXSID
DTXSID80863216- ChEMBL
CHEMBL1234745- ChEBI
CHEBI:44454- UNII
- 7COY1HA6HK
- EC Number
- 210-688-6
- Nikkaji
- J78G
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -2
- Polarare Oberfläche (TPSA)
- 129 Ų
- H-Brücken-Donoren
- 3
- H-Brücken-Akzeptoren
- 6
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 16
- Formalladung
- 0
- Komplexität
- 278
Experimentelle und physikochemische Eigenschaften
DrugsPharmaceuticals -> Listed in ZINC15
Physical DescriptionSolid
Collision Cross Section147.7 Ų [M+Na-2H]- [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]
Physikochemische Eigenschaften
- Siedepunkt
- 431.6 · 431.6±45.0 °C(Predicted)
- Dichte
- 1.531 · 1.531±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 2.17 · 2.17±0.20(Predicted)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.
Warning
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 4 (50%)
Chemie und Industrie
Pharmakologische Informationen
Tissue LocationsBrain
Cellular LocationsCytoplasm
Anbieter11 Anbieter
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
上海海皋科技有限公司021-57646680 18306277365 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
南京德尔诺医药科技有限公司02585057128;025-86957866 13952093866 · [email protected]
湖北杰明凯林科技有限公司13817642633 · [email protected]
上海黎枫医药科技有限公司021-13681628734 13681628734 · [email protected]
DONBOO AMINO ACID COMPANY13063595538 · [email protected]
北京珐默兹医药科技有限公司15811073878 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
扬州摩笛尔电子材料有限公司13761402923 19975033992 · [email protected]
Ergänzende Hinweise
DefinitionChEBI: A 3-nitrotyrosine comprising L-tyrosine having a nitro group at the 3-position on the phenyl ring.
Zugehörige Reaktionen
4
Notizen zur Verbindung
Wird geladen…