TH287
Daten werden ergänzt – meist innerhalb einer Minute fertig
Grundinformationen
- CAS
1609960-30-6- Standard-SMILES
CNc1cc(-c2cccc(Cl)c2Cl)nc(N)n1- InChIKey
YBLIJWDQSUDCJU-UHFFFAOYSA-N- Summenformel
- C11H10Cl2N4
- Durchschnittliche Molmasse
- 269,13 g/mol
Namen und Bezeichner
- Bevorzugter Name
- TH287
- Englischer Name
- TH287
- Summenformel
- C11H10Cl2N4
- Molmasse
- 269.13
Namen und Synonyme
Datenbank-Bezeichner
- CAS
1609960-30-6- PubChem CID
- 73441664
- ChEMBL
CHEMBL3781316- UNII
- R6DCB5MSM2
- Nikkaji
- J3.269.051C
Eigenschaften
Physikochemische Eigenschaften
- Siedepunkt
- 512.2 · 512.2±60.0 °C(Predicted)
- Dichte
- 1.44 · 1.440±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- 5 mg/mL, · DMSO: soluble5mg/mL, clear (warmed)
- Aggregatzustand
- powder
- pka
- 5.91 · 5.91±0.10(Predicted)
- Farbe
- white to beige
- InChI
- 1S/C11H10Cl2N4.ClH/c1-15-9-5-8(16-11(14)17-9)6-3-2-4-7(12)10(6)13;/h2-5H,1H3,(H3,14,15,16,17);1H
- InChIKey
- YBLIJWDQSUDCJU-UHFFFAOYSA-N
- SMILES
- ClC1=CC=CC(C2=NC(N)=NC(NC)=C2)=C1Cl.Cl
Sicherheit und Regulatorisches
Sicherheitsdaten
- wgk
- 3
- risk_code
- 22-41
- hazard_code
- Xn
- safety_code
- 26-39
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1
Chemie und Industrie
Anwendungen
BeschreibungHuman mutT homolog (MTH1) is a nucleotide pool sanitizing enzyme that cleaves oxidized nucleotides (dNTPs) to prevent incorporation of damaged bases during DNA replication. Cancer cells rely on MTH1 activity in order to avoid cell death. TH287 is an MTH1 inhibitor (IC50 = 0.8 nM) that selectively kills cancer cell lines (IC50s = 0.8-3.06 μM) without significant cytotoxicity towards primary or immortalized cells (IC50s = ≥20 μM). At up to 100 μM it does not show significant effect towards the related nudix hydrolase protein family members MTH2, NUDT5, NUDT12, NUDT14, and NUDT16, as well as other proteins with known nucleoside triphosphate pyrophosphatase activity (dCTPase, dUTPase, and ITPA).
Verwenden6-(2,3-Dichlorophenyl)-N4-methyl-2,4-pyrimidinediamine is known to possess antitumor effects and nanomolar MTH1-inhibitory activity in vitro for cancer cell survival.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Anbieter89 Anbieter
Zugehörige Reaktionen
Keine Reaktionsaufzeichnungen unter den aktuellen Filterkriterien.
Notizen zur Verbindung
Wird geladen…