Oxaceprol
Grundinformationen
- CAS
33996-33-7- Standard-SMILES
CC(=O)N1C[C@H](O)C[C@H]1C(=O)O- InChIKey
BAPRUDZDYCKSOQ-RITPCOANSA-N- Summenformel
- C7H11NO4
- Durchschnittliche Molmasse
- 173,17 g/mol
- Monoisotopische Masse
- 173,06880783
Überblick
Oxaceprol is an L-proline derivative that is L-proline substituted by acetyl and hydroxy groups at positions 1 and 4R, respectively. It is an anti-inflammatory drug used for the management of osteoarthritis. It has a role as an anti-inflammatory drug and a dermatologic drug. It is a member of acetamides, a pyrrolidinemonocarboxylic acid, a monohydroxypyrrolidine and a L-proline derivative.
Namen und Bezeichner
- Bevorzugter Name
- Oxaceprol
- IUPAC
- (2S,4R)-1-acetyl-4-hydroxypyrrolidine-2-carboxylic acid
- Lokaler Name
- Oxaceprol
- Englischer Name
- Oxaceprol
- Summenformel
- C7H11NO4
- Molmasse
- 173.17
Namen und Synonyme
Oxaceprol33996-33-7(2S,4R)-1-acetyl-4-hydroxypyrrolidine-2-carboxylic acidJonctumacetyl hydroxyprolineOxaceprolumN-AcetylhydroxyprolineDTXSID2046410Q0XV76B96L(-)-1-Acetyl-4-hydroxy-L-prolineDTXCID0026410RefChem:55788
Weitere Namen anzeigen
(2S,4R)-4-HYDROXYPYRROLIDINE-2-CARBOXYLIC ACIDNAHPTRANS-1-ACETYL-4-HYDROXY-L-PROLINECO-61AHP-200Ac-L-Hyp
1-Acetyl-4-hydroxy-L-prolineD11AX09M01AX24251-780-6N-acetyl-4-hydroxyprolineN-Acetyl-L-hydroxyprolineAC-HYP-OHN-Acetyl-trans-4-hydroxy-L-proline
Datenbank-Bezeichner
- CAS
33996-33-7- PubChem CID
- 65784
- DTXSID
DTXSID2046410- ChEMBL
CHEMBL1407356- ChEBI
CHEBI:233149- UNII
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -1,1
- Polarare Oberfläche (TPSA)
- 77,8 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 215
Experimentelle und physikochemische Eigenschaften
Solubility>26 [ug/mL] (The mean of the results at pH 7.4)
Physikochemische Eigenschaften
- Schmelzpunkt
- 132 · 132-133 °C (dec.)(lit.)
- Siedepunkt
- 303.8 °C · 303.8°C (rough estimate)
- Dichte
- 1.3346 · 1.3346 (rough estimate)
- Dampfdruck
- 0 Pa · 0Pa at 20℃
- Brechungsindex
- 1.449 · 1.4490 (estimate)
- storage temp.
- 2 · Sealed in dry,2-8°C
- Löslichkeit
- 32 mg/mL · DMSO : ≥ 32 mg/mL (184.79 mM)
- pka
- 3.48 · 3.48±0.40(Predicted)
- Aggregatzustand
- Crystalline Powder
- Farbe
- White
- Merck
- 14 · 14,6903
- BRN
- 84043 · 84043
- Major Application
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
H315 (11.8%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 51 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory InformationStatus: Active Update: 28-04-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/21835
Hazard Classes and CategoriesSkin Irrit. 2 (11.8%)
Sicherheitsdaten
- F
- 10
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29339900
- risk_code
- 41
- hazard_code
- Xi
- safety_code
- 26-36
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Eye Dam. 1
Chemie und Industrie
Pharmakologische Informationen
ATC Code
D - Dermatologicals
M - Musculo-skeletal system
QD - Dermatologicals
QM - Musculo-skeletal system
MeSH Pharmacological Classification
Drugs used to treat or prevent skin disorders or for the routine care of skin.
Drugs that are used to treat RHEUMATOID ARTHRITIS.
Verwendung und Herstellung
General Manufacturing InformationL-Proline, 1-acetyl-4-hydroxy-, (4R)-: INACTIVE
Anwendungen
Verwendentrans-1-Acetyl-4-hydroxy-L-proline can be used:In the stereospecific synthesis of 4-fluoroglutamic acid.To synthesize molecular targets for von Hippel-Lindau (VHL) E3 ubiquitin ligase.As a precursor to synthesize pseudopoly(amino acids) such as poly(trans-4-hydroxy-4-acyl-L-proline ester) and a biodegradable polymer, poly(lactic acid-glycolic acid-4-hydroxyproline).
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