Unbs-5162
Grundinformationen
- CAS
956590-23-1- Standard-SMILES
CN(C)CCN1C(=O)c2cccc3cc(NC(N)=O)cc(c23)C1=O- InChIKey
WCKZRLOUKYFJDY-UHFFFAOYSA-N- Summenformel
- C17H18N4O3
- Durchschnittliche Molmasse
- 326,35 g/mol
- Monoisotopische Masse
- 326,13789045
Überblick
Naphthalimide Analogue UNBS5162 is an amonafide (naphthalimide) derivative and pan-antagonist of chemokine ligand (CXCL) expression, with potential anti-angiogenic activity. Although UNBS5162 is a derivative of amonafide, this agent appears to have a different profile to that of amonafide and its exact mechanism of action remains to be fully elucidated. This agent seems to decrease the expression of various proangiogenic CXCL chemokines in vitro and may have synergistic effects with radiotherapy or chemotherapy. CXCLs are small cytokines in the CXC chemokine family that are overexpressed in certain cancers; CXCL-mediated signaling plays a key role in angiogenesis and tumor progression.
Namen und Bezeichner
- Bevorzugter Name
- Unbs-5162
- IUPAC
- [2-[2-(dimethylamino)ethyl]-1,3-dioxobenzo[de]isoquinolin-5-yl]urea
- Englischer Name
- UNBS-5162
- Summenformel
- C17H18N4O3
- Molmasse
- 326.35
Namen und Synonyme
956590-23-1UNBS5162UNBS-51621-(2-(2-(dimethylamino)ethyl)-1,3-dioxo-2,3-dihydro-1H-benzo[de]isoquinolin-5-yl)ureaUNBS 5162JY9JF7D78NUrea, N-(2-(2-(dimethylamino)ethyl)-2,3-dihydro-1,3-dioxo-1H-benz(de)isoquinolin-5-yl)-1-(2-(2-(Dimethylamino)ethyl)-1,3-dioxo-2,3-dihydro-1H-benzo(de)isoquinolin-5-yl)ureaRefChem:193046Naphthalimide Analogue UNBS5162[2-[2-(dimethylamino)ethyl]-1,3-dioxobenzo[de]isoquinolin-5-yl]ureaUNII-JY9JF7D78N
Weitere Namen anzeigen
CS-1759UNBS-5162, >=98%UNBS5162, 10 mM in DMSOUrea, N-[2-[2-(dimethylamino)ethyl]-2,3-dihydro-1,3-dioxo-1H-benz[de]isoquinolin-5-yl]-1-(2-(2-(dimethylamino)ethyl)-1,3-dioxo-2,3-dihydro-1H-benzo[de]isoquinolin-5-yl)urea UNBS-5162
WCKZRLOUKYFJDY-UHFFFAOYSA-NMFCD22380608Uunbs-5162orb1222969orb1305426SCHEMBL4188839CHEMBL4303530UNBS5162?
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,8
- Polarare Oberfläche (TPSA)
- 95,7 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 24
- Formalladung
- 0
- Komplexität
- 536
Physikochemische Eigenschaften
- Siedepunkt
- 526.4 · 526.4±35.0 °C(Predicted)
- Dichte
- 1.389 · 1.389±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- Löslichkeit
- Soluble in DMSO
- Aggregatzustand
- crystalline solid
- pka
- 13.5 · 13.50±0.20(Predicted)
- Farbe
- Light yellow to yellow
- InChI
- 1S/C17H18N4O3/c1-20(2)6-7-21-15(22)12-5-3-4-10-8-11(19-17(18)24)9-13(14(10)12)16(21)23/h3-5,8-9H,6-7H2,1-2H3,(H3,18,19,24)
- InChIKey
- WCKZRLOUKYFJDY-UHFFFAOYSA-N
- SMILES
- [n]1([c](c2c3c([c]1=O)cccc3cc(c2)NC(=O)N)=O)CCN(C)C
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
Sicherheitsdaten
- wgk
- WGK 3
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Anbieter48 Anbieter
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