Grundinformationen
- CAS
1742-95-6- Standard-SMILES
Nc1ccc2c3c(cccc13)C(=O)NC2=O- InChIKey
SSMIFVHARFVINF-UHFFFAOYSA-N- Summenformel
- C12H8N2O2
- Durchschnittliche Molmasse
- 212,2 g/mol
- Monoisotopische Masse
- 212,0585775
Überblick
4-amino-1,8-naphthalimide is a dicarboximide and a benzoisoquinoline.
Namen und Bezeichner
- Bevorzugter Name
- 4-Amino-1,8-naphthalimide
- IUPAC
- 6-aminobenzo[de]isoquinoline-1,3-dione
- Lokaler Name
- 4-Aminonaphthalin-1,8-dicarboximid
- Englischer Name
- 4-AMINO-1,8-NAPHTHALIMIDE
- Summenformel
- C12H8N2O2
- Molmasse
- 212.2
Namen und Synonyme
4-Amino-1,8-naphthalimide1742-95-64-Aminonaphthalimide6-AMINO-BENZO[DE]ISOQUINOLINE-1,3-DIONE6-aminobenzo[de]isoquinoline-1,3-dione4-Aminonaphthalene-1,8-dicarboximideDFP 14-amino1,8-naphthalimide6-Amino-1H-benz(de)isoquinoline-1,3(2H)-dioneS529AR2S8BDTXSID6061941CHEBI:40071
Weitere Namen anzeigen
dfp14-ANITIMTEC-BB SBB0034254-amino-naphthalimid4-Amino-1,8-naphthalimide,98%4-AMINO-1,8-NAPHTHALIMIDE 98%
D-1226-AMINO-BENZO(DE)ISOQUINOLINE-1,3-DIONE6-aminobenzo(de)isoquinoline-1,3-dioneRefChem:517404DTXCID3035559217-110-16-Amino-1H-benzo[de]isoquinoline-1,3(2H)-dione1H-Benz[de]isoquinoline-1,3(2H)-dione, 6-amino-
Datenbank-Bezeichner
- CAS
1742-95-6- PubChem CID
- 1720
- DTXSID
DTXSID6061941
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,3
- Polarare Oberfläche (TPSA)
- 72,2 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 16
- Formalladung
- 0
- Komplexität
- 342
Experimentelle und physikochemische Eigenschaften
DrugsPharmaceuticals -> Listed in ZINC15
Physikochemische Eigenschaften
- Schmelzpunkt
- 360 °C · 360 °C
- Siedepunkt
- 352.04 °C · 352.04°C (rough estimate)
- Dichte
- 1.105 g/mL · 1.105 g/mL at 25 °C(lit.)
- Dampfdruck
- 0 Pa · 0Pa at 25℃
- Brechungsindex
- 1.6 · 1.6000 (estimate)
- storage temp.
- -20 °C · -20°C
- Löslichkeit
- Soluble in DMSO
- Aggregatzustand
- Orange solid.
- pka
- 9.53 · 9.53±0.20(Predicted)
- Farbe
- Yellow to brown
- Wasserlöslichkeit
- 354 mg/L · 354mg/L at 25℃
- Kosmetik-Inhaltsstoffe Funktionen
- HAIR DYEING
- InChI
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
H315 (47%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 83 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
REACH registered substance: 4-aminonaphthalene-1,8-dicarboximide (EC: 217-110-1)
1H-Benzdeisoquinoline-1,3(2H)-dione, 6-amino-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesSkin Irrit. 2 (47%)
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29251995
- RTECS-Nr.
- DE4081000
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-37/39
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Pharmakologische Informationen
MeSH Pharmacological ClassificationChemicals and drugs that inhibit the action of POLY(ADP-RIBOSE)POLYMERASES.
Verwendung und Herstellung
General Manufacturing Information1H-Benz[de]isoquinoline-1,3(2H)-dione, 6-amino-: ACTIVE
Anwendungen
BeschreibungThe poly(ADP-ribose) polymerases (PARPs) form a family of enzymes with roles in DNA repair and apoptosis, particularly in response to reactive oxygen and nitrogen species. 4-amino-1,8-Naphthalimide (4-ANI) is an inhibitor of PARP (IC50 = 180 nM). It blocks radiation-induced PARP in cancer cells, potentiating the cytotoxicity of γ-radiation, although it is not cytotoxic in the absence of radiation. 4-ANI is used to study the role of PARP activity in various cell systems.
VerwendenThe poly(ADP-ribose) polymerases (PARPs) form a family of enzymes with roles in DNA repair and apoptosis, particularly in response to reactive oxygen and nitrogen species. 4-amino-1,8-Naphthalimide (4-ANI) is an inhibitor of PARP (IC50 = 180 nM). It blocks radiation-induced PARP in cancer cells, potentiating the cytotoxicity of γ-radiation, although it is not cytotoxic in the absence of radiation. 4-ANI is used to study the role of PARP activity in various cell systems.
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