Acetyl-aspartyl-glutamyl-valyl-aspartic acid p-nitroanilide
Grundinformationen
- CAS
189684-50-2- Standard-SMILES
CC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)Nc1ccc([N+](=O)[O-])cc1)C(C)C- InChIKey
GGXRLUDNGFFUKI-ORGXJRBJSA-N- Summenformel
- C26H34N6O13
- Durchschnittliche Molmasse
- 638,6 g/mol
- Monoisotopische Masse
- 638,21838516
Überblick
a colorimetric substrate for assaying caspase-3 activity
Namen und Bezeichner
- Bevorzugter Name
- Acetyl-aspartyl-glutamyl-valyl-aspartic acid p-nitroanilide
- IUPAC
- (4S)-4-[[(2S)-2-acetamido-3-carboxypropanoyl]amino]-5-[[(2S)-1-[[(2S)-3-carboxy-1-(4-nitroanilino)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid
- Englischer Name
- (4S)-4-[[(2S)-2-acetamido-3-carboxypropanoyl]amino]-5-[[(2S)-1-[[(2S)-3-carboxy-1-(4-nitroanilino)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid
- Summenformel
- C26H34N6O13
- Molmasse
- 638.58
Namen und Synonyme
Acetyl-aspartyl-glutamyl-valyl-aspartic Acid P-nitroanilideRefChem:914981Ac-DEVD-pNAAc-Asp-Glu-Val-Asp-PNAN-Acetyl-Asp-Glu-Val-Asp p-nitroanilideMFCD00792707(4S)-4-[[(2S)-2-acetamido-3-carboxypropanoyl]amino]-5-[[(2S)-1-[[(2S)-3-carboxy-1-(4-nitroanilino)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acidAc-D-E-V-D-PNAZ-VDVAD-pNA?orb321472orb525756N-Acetyl-Asp-Glu-Val-Asp-pna
Weitere Namen anzeigen
N-acetyl-L-α-aspartyl-L-α-glutamyl-L-valyl-N-(4-nitrophenyl)-L-α-asparagineL-α-Asparagine, N-acetyl-L-α-aspartyl-L-α-glutamyl-L-valyl-N-(4-nitrophenyl)-N-Acetyl-L-alpha-aspartyl-L-alpha-glutamyl-L-valyl-N-(4-nitrophenyl)-L-alpha-asparagine(4S,7S,10S,13S)-7-(2-carboxyethyl)-4-(carboxymethyl)-10-isopropyl-13-((4-nitrophenyl)carbamoyl)-2,5,8,11-tetraoxo-3,6,9,12-tetraazapentadecan-15-oic acid
orb3133170SCHEMBL2028887GGXRLUDNGFFUKI-ORGXJRBJSA-NAc-DEVD-pNA(Caspase-3 Substrate)?HY-W338079N-acetyl-asp-glu-val-asp-p-nitroanilideBP-23537CS-0449396
Datenbank-Bezeichner
- CAS
189684-50-2- PubChem CID
- 11527474
- Nikkaji
- J1.146.793H
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -1,4
- Polarare Oberfläche (TPSA)
- 303 Ų
- H-Brücken-Donoren
- 8
- H-Brücken-Akzeptoren
- 13
- Frei drehbare Bindungen
- 17
- Schwere Atome
- 45
- Formalladung
- 0
- Komplexität
- 1.150
Physikochemische Eigenschaften
- Schmelzpunkt
- 179 · 179-184 °C
- Siedepunkt
- 1187 · 1187.0±65.0 °C(Predicted)
- Dichte
- 1.448 · 1.448±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- Löslichkeit
- 1 · Acetonitrile:Methanol (1:1): 1 mg/ml
- Aggregatzustand
- A crystalline solid
- pka
- 4.03 · 4.03±0.10(Predicted)
Chemie und Industrie
Anwendungen
BeschreibungDuring apoptosis, activated caspase-3 cleaves several substrates, including poly(ADP-ribose) polymerase, which it specifically targets at the amino sequence DEVD. Ac-DEVD-pNA is a para-nitro aniline chromophore cleaved by caspases (Km = 18, 11, 32, 180, and 12 μM for caspases-1, -3, -4, -6, and -7, respectively). It is not cleaved by caspase-2. Cleavage is monitored colorimetrically at 405 nm.
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