Bromopyruvic Acid
Grundinformationen
- CAS
113-59-3- Standard-SMILES
O=C(O)C(=O)CBr- InChIKey
PRRZDZJYSJLDBS-UHFFFAOYSA-N- Summenformel
- C3H3BrO3
- Durchschnittliche Molmasse
- 166,96 g/mol
Überblick
3-bromopyruvic acid is a 2-oxo monocarboxylic acid that is pyruvic acid in which one of the methyl hydrogens is replaced by bromine. Synthetic brominated derivative and structural analog of pyruvic acid. Highly reactive alkylating agent. Anti-cancer drug. It has a role as an alkylating agent and an antineoplastic agent. It is a 2-oxo monocarboxylic acid and an organobromine compound. It is functionally related to a pyruvic acid. It is a conjugate acid of a 3-bromopyruvate.
Namen und Bezeichner
- Bevorzugter Name
- Bromopyruvic Acid
- IUPAC
- 3-bromo-2-oxopropanoic acid
Namen und Synonyme
bromopyruvic acid3-bromopyruvic acid1113-59-33-bromo-2-oxopropanoic acidbromopyruvate3-Bromo-2-oxopropionic acid63JMV04GRKDTXSID7040940NSC-11731NSC-62343CHEBI:1314613-BrPA cpd
Weitere Namen anzeigen
RefChem:499406DTXCID5020940214-206-53-bromopyruvatePyruvic acid, bromo-Propanoic acid, 3-bromo-2-oxo-3-bromopyruvicacidMFCD00002587
Datenbank-Bezeichner
- CAS
113-59-3- ChEMBL
CHEMBL177837- ChEBI
CHEBI:131461- UNII
- 63JMV04GRK
- EC Number
- 214-206-5
- Nikkaji
- J138.327B
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,5
- Polarare Oberfläche (TPSA)
- 54,4 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 7
- Formalladung
- 0
- Komplexität
- 98,4
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
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 48 reports by companies from 6 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Chemie und Industrie
Pharmakologische Informationen
MeSH Pharmacological Classification
Analogs of those substrates or compounds which bind naturally at the active sites of proteins, enzymes, antibodies, steroids, or physiological receptors. These analogs form a stable covalent bond at the binding site, thereby acting as inhibitors of the proteins or steroids.
Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.
Verwendung und Herstellung
General Manufacturing InformationPropanoic acid, 3-bromo-2-oxo-: ACTIVE
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