3-(4-(4-Morpholinyl)pyrido(3',2':4,5)furo(3,2-d)pyrimidin-2-yl)phenol
Grundinformationen
- CAS
371935-74-9- Standard-SMILES
Oc1cccc(-c2nc(N3CCOCC3)c3oc4ncccc4c3n2)c1- InChIKey
TUVCWJQQGGETHL-UHFFFAOYSA-N- Summenformel
- C19H16N4O3
- Durchschnittliche Molmasse
- 348,4 g/mol
- Monoisotopische Masse
- 348,12224039
Überblick
PI-103 is an organic heterotricyclic compound that is pyrido[3',2':4,5]furo[3,2-d]pyrimidine substituted at positions 2 and 4 by 3-hydroxyphenyl and morpholin-4-yl groups respectively. A dual-kinase inhibitor with anti-cancer properties. It has a role as an antineoplastic agent, an EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor and a mTOR inhibitor. It is an organic heterotricyclic compound, a member of phenols, an aromatic amine, a member of morpholines and a tertiary amino compound.
Namen und Bezeichner
- Bevorzugter Name
- 3-(4-(4-Morpholinyl)pyrido(3',2':4,5)furo(3,2-d)pyrimidin-2-yl)phenol
- IUPAC
- 3-(6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl)phenol
- Englischer Name
- PI-103
- Summenformel
- C19H16N4O3
- Molmasse
- 348.36
Namen und Synonyme
PI-103371935-74-9PIK-103Phenol, 3-[4-(4-morpholinyl)pyrido[3',2':4,5]furo[3,2-d]pyrimidin-2-yl]-3-[4-(4-Morpholinyl)pyrido[3',2':4,5]furo[3,2-d]pyrimidin-2-yl]phenolYQX02F616FCHEBI:90524DTXSID40190676Phenol, 3-(4-(4-morpholinyl)pyrido(3',2':4,5)furo(3,2-d)pyrimidin-2-yl)-3-[6-(morpholin-4-yl)-8-oxa-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2,4,6,9,11-hexaen-4-yl]phenol3-(4-(4-Morpholinyl)pyrido(3',2':4,5)furo(3,2-d)pyrimidin-2-yl)phenol3-(6-(morpholin-4-yl)-8-oxa-3,5,10-triazatricyclo(7.4.0.0^(2,7))trideca-1(13),2,4,6,9,11-hexaen-4-yl)phenol
Weitere Namen anzeigen
PI-103 - [P13259]PI 103 HYDROCHLORIDEPI-103, 10 mM in DMSOPI-103, Free Base, >99%PI-103HydrochlorideSaltPI-103 - CAS 371935-74-9 - CalbiochemPI 3-Kinase Inhibitor (PI-103) B-0303PI-103, 98%, a potent PI3K/Akt and mTOR inhibitor
RefChem:1066765DTXCID801131673-(4-morpholinopyrido[3',2':4,5]furo[3,2-d]pyrimidin-2-yl)phenolPI 103PI103UNII-YQX02F616FMFCD119831453-(4-morpholin-4-ylpyrido[2,3]furo[2,4-b]pyrimidin-2-yl)phenol
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,7
- Polarare Oberfläche (TPSA)
- 84,5 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 7
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 26
- Formalladung
- 0
- Komplexität
- 489
Physikochemische Eigenschaften
- Dichte
- 1.409 · 1.409±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Keep in dark place,Sealed in dry,Store in freezer, under -20°C
- Löslichkeit
- Soluble in DMSO (up to 40 mg/ml)
- Aggregatzustand
- White solid
- pka
- 9.06 · 9.06±0.10(Predicted)
- Farbe
- White
- Stabilität
- 1 year · Stable for 1 year from date of purchase as supplied. Solutions in DMSO may be stored at -20°C for up to 2 months.
- InChI
- InChI=1S/C19H16N4O3/c24-13-4-1-3-12(11-13)17-21-15-14-5-2-6-20-19(14)26-16(15)18(22-17)23-7-9-25-10-8-23/h1-6,11,24H,7-10H2
- InChIKey
- TUVCWJQQGGETHL-UHFFFAOYSA-N
- SMILES
- C1(O)=CC=CC(C2=NC(N3CCOCC3)=C3OC4=NC=CC=C4C3=N2)=C1
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
Anwendungen
VerwendenPI 103 is a dual inhbitor of Class IA phosphatidylinositol 3-kinase and mammalian target of rapaymycin complex 1 (mTORC1), both of which are involved in pathways often activated in myelogenous leukemia. PI 103 also functions to enhance tumour radiosensitivity.
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Shangchem Co., Ltd.+86-21-68182121
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