At-9283
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Grundinformationen
- CAS
896466-04-9- Standard-SMILES
O=C(Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)NC1CC1- InChIKey
LOLPPWBBNUVNQZ-UHFFFAOYSA-N- Summenformel
- C19H23N7O2
- Durchschnittliche Molmasse
- 381,4 g/mol
- Monoisotopische Masse
- 381,191323
Überblick
1-cyclopropyl-3-[3-[5-(4-morpholinylmethyl)-2-benzimidazolylidene]-1,2-dihydropyrazol-4-yl]urea is a member of benzimidazoles.
Namen und Bezeichner
- Bevorzugter Name
- At-9283
- IUPAC
- 1-cyclopropyl-3-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]urea
- Englischer Name
- AT9283
- Summenformel
- C19H23N7O2
- Molmasse
- 381.43
Namen und Synonyme
896466-04-9AT9283AT-9283AT 9283XAV9KYN9WLAT 9283 [WHO-DD]Urea, N-cyclopropyl-N'-(3-(6-(4-morpholinylmethyl)-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl)-1-cyclopropyl-3-[(3Z)-3-[5-(morpholin-4-ylmethyl)benzimidazol-2-ylidene]-1,2-dihydropyrazol-4-yl]urea1-cyclopropyl-3-((3Z)-3-(5-(morpholin-4-ylmethyl)benzimidazol-2-ylidene)-1,2-dihydropyrazol-4-yl)ureaUrea, N-cyclopropyl-N'-[3-[6-(4-morpholinylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-RefChem:560290Multikinase Inhibitor AT9283
Weitere Namen anzeigen
CS-48J-504568AT9283, >=98%AT9283, 10 mM in DMSOAT9283 AKSci SYN1011 AT-9283N-cyclopropyl-N'-[3-[5-(4-morpholinylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]Urea1-Cyclopropyl-3-(3-(5-(morpholinomethyl)-1H-benzo[d]imidazol-2-yl)-1H-pyrazol-4-yl)urea AT9283
Aurora kinase inhibitor AT92831133385-83-71-Cyclopropyl-3-(3-(5-(morpholinomethyl)-1H-benzo[d]imidazol-2-yl)-1H-pyrazol-4-yl)ureaAT-9283 free baseMFCD12031513HMS3244P09HMS3673I15NSC799339
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 0,5
- Polarare Oberfläche (TPSA)
- 111 Ų
- H-Brücken-Donoren
- 4
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 5
- Schwere Atome
- 28
- Formalladung
- 0
- Komplexität
- 554
Experimentelle und physikochemische Eigenschaften
DrugsPharmaceuticals -> Listed in ZINC15
LogP2.3
Physikochemische Eigenschaften
- Dichte
- 1.45 · 1.45
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- Löslichkeit
- 2 O; · insoluble in H2O; ≥19.05 mg/mL in DMSO; ≥47.6 mg/mL in EtOH with ultrasonic
- Aggregatzustand
- solid
- pka
- 10.58 · 10.58±0.10(Predicted)
- Farbe
- White to off-white
- InChIKey
- LOLPPWBBNUVNQZ-UHFFFAOYSA-N
- SMILES
- [nH]1nc(c(c1)NC(=O)NC5CC5)c2[nH]c3c(n2)ccc(c3)CN4CCOCC4
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
Pharmakologische Informationen
Mechanism of Action
AT9283 is an inhibitor of mitosis (cell division) and is the second most progressed drug candidate in the Astex portfolio of novel molecularly targeted cancer drugs. All of Astex’s current products have been discovered internally using its proprietary drug discovery approach. AT9283 is a potent inhibitor of the Aurora A and B kinases and has been shown to arrest tumour growth in a range of tumour models. Aurora kinases play a key role in mitotic checkpoint control in cell division. Both Aurora A and B are over-expressed in many human tumours and are believed to be excellent targets for anti-cancer therapy.
Anwendungen
VerwendenAT-9283 is a broad spectrum kinase inhibitor that potently inhibits Aurora A, Aurora B, JAK2, JAK3, and c-ABL (IC50s = 3, 3, 1.2, 1.1, and 4 nM, respectively). It also potently (IC50 = <1 μM) inhibits many other kinases, including serine/threonine kinases as well as receptor and non-receptor tyrosine kinases. As Aurora kinases have roles in mitosis, inhibitors of these kinases, including AT-9283, have potential in cancer therapy. Consistent with this, AT-9283 is effective in preventing proliferation of cancer cells both in vitro and in vivo and this effect may be enhanced by combination therapy with other chemotherapeutics.[Cayman Chemical]
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