4-Oxazolidinepropanoic acid, 2,5-dioxo-, phenylmethyl ester, (4S)-
Grundinformationen
- CAS
3190-71-4- Standard-SMILES
O=C(CC[C@@H]1NC(=O)OC1=O)OCc1ccccc1- InChIKey
UGCBVSDSTGUPBC-JTQLQIEISA-N- Summenformel
- C13H13NO5
- Durchschnittliche Molmasse
- 263,25 g/mol
- Monoisotopische Masse
- 263,07937252
Namen und Bezeichner
- Bevorzugter Name
- 4-Oxazolidinepropanoic acid, 2,5-dioxo-, phenylmethyl ester, (4S)-
- IUPAC
- benzyl 3-[(4S)-2,5-dioxo-1,3-oxazolidin-4-yl]propanoate
- Englischer Name
- 5-Benzyl L-glutamate N-carboxyanhydride
- Summenformel
- C13H13NO5
- Molmasse
- 263.25
Namen und Synonyme
4-OXAZOLIDINEPROPANOIC ACID, 2,5-DIOXO-, PHENYLMETHYL ESTER, (4S)-RefChem:526108608-678-53190-71-4(S)-Benzyl 3-(2,5-dioxooxazolidin-4-yl)propanoateH-GLU(OBZL)-NCAGlutamic acid,5-benzyl ester,NCABenzyl 3-[(4S)-2,5-dioxo-1,3-oxazolidin-4-yl]propanoateMFCD11046651benzyl (S)-3-(2,5-dioxooxazolidin-4-yl)propanoateGlu-(OBZL)-NCA5-Benzyl L-glutamate N-carboxyanhydride
Weitere Namen anzeigen
Glu(Obzl)NCAGlu(OBz)-NCAL-Glu (OBn)-NCADL-Glu(Obzl)-NCAH-L-Glu(OBzl)-NCACreatinine Impurity 5Meloxicam Impurity 26
(4S)-2,5-Dioxo-4-oxazolidinepropanoic Acid Phenylmethyl Esterepsilon-Benzyl-L-glutamic acid carboxylic anhydrideL-Glu(OBZL)-NCACreatinine Impurity 2L-Glu(OBZL)-4-Oxazolidinepropanoic acid, 2,5-dioxo-, phenylmethyl ester, (S)-gamma-Benzyl glutamate NCABenzyl (S)-2,5-Dioxooxazolidine-4-propanoate
Datenbank-Bezeichner
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,2
- Polarare Oberfläche (TPSA)
- 81,7 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 6
- Schwere Atome
- 19
- Formalladung
- 0
- Komplexität
- 362
Physikochemische Eigenschaften
- Schmelzpunkt
- 97 · 97-98℃
- Dichte
- 1.293 · 1.293
- storage temp.
- -20 °C · Inert atmosphere,Store in freezer, under -20°C
- Löslichkeit
- Acetonitrle (Slightly), Chloroform (Slightly), DMSO (Slightly), THF (Slightly)
- pka
- 9.03 · 9.03±0.40(Predicted)
- Aggregatzustand
- Solid
- Farbe
- White to Off-White
- Stabilität
- Unstable in Solution
- InChI
- InChI=1S/C13H13NO5/c15-11(18-8-9-4-2-1-3-5-9)7-6-10-12(16)19-13(17)14-10/h1-5,10H,6-8H2,(H,14,17)/t10-/m0/s1
- InChIKey
- UGCBVSDSTGUPBC-JTQLQIEISA-N
- SMILES
- O1C(=O)[C@H](CCC(OCC2=CC=CC=C2)=O)NC1=O
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
Warning
H317 (90.5%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 42 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory InformationREACH registered substance: 4-Oxazolidinepropanoic acid, 2,5-dioxo-, phenylmethyl ester, (4S)- (EC: 608-678-5)
Hazard Classes and CategoriesSkin Sens. 1 (90.5%)
Sicherheitsdaten
- Alarmwort
- Achtung
- Gefahrenhinweise
- Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H315
Chemie und Industrie
Anwendungen
Beschreibung5-Benzyl L-glutamate N-carboxyanhydride is a reactive derivative of L-glutamic acid, where the amino acid has been cyclised as an N-carboxyanhydride (NCA), a class of reagent known as Leuchs’ anhydrides. 5-Benzyl L-glutamate N-carboxyanhydride reacts with nucleophiles such as alcohols and amines to form esters and amides respectively. The opening of the N-carboxyanhydride to an ester or amide releases the amino acid amine which can also react as a nucleophile leading to polymerisation. These poly-amide polymers have been investigated as delivery platforms of Small Interfering RNA (si-RNA).
VerwendenH-GLU(OBZL)-NCA was used in the synthesis and physicochemical characterization of reduction-sensitive block copolymer for intracellular delivery of doxoru bicin.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Anbieter100 Anbieter
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
Changzhou Carman Chemical Co., Ltd.15061933924
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