Pd 158780
Grundinformationen
- CAS
171179-06-9- Standard-SMILES
CNc1cc2c(Nc3cccc(Br)c3)ncnc2cn1- InChIKey
KFHMLBXBRCITHF-UHFFFAOYSA-N- Summenformel
- C14H12BrN5
- Durchschnittliche Molmasse
- 330,18 g/mol
- Monoisotopische Masse
- 329,02761
Namen und Bezeichner
- Bevorzugter Name
- Pd 158780
- IUPAC
- 4-N-(3-bromophenyl)-6-N-methylpyrido[3,4-d]pyrimidine-4,6-diamine
- Englischer Name
- PD158780
- Summenformel
- C14H12BrN5
- Molmasse
- 330.18
Namen und Synonyme
pd 158780PD-158780DTXSID20274443RefChem:858796DTXCID90225922171179-06-9PD158780N4-(3-bromophenyl)-N6-methylpyrido[3,4-d]pyrimidine-4,6-diamine4-N-(3-bromophenyl)-6-N-methylpyrido[3,4-d]pyrimidine-4,6-diamineN4-(3-Bromophenyl)-N6-methyl-pyrido[3,4-d]pyrimidine-4,6-diamineMFCD00942160CHEMBL53753
Weitere Namen anzeigen
PD 158780 solutionInSolution? PD 158780PD158780, 10 mM in DMSOPD 158780 - CAS 171179-06-9 - CalbiochemPD 158780, ErbB receptor tyrosine kinase inhibitorInSolution PD 158780 - CAS 171179-06-9 - CalbiochemN4-(3-Bromophenyl)-N6-methylpyrido[3,4-d]-4,6-pyrimidinediaminePyrido[3,4-d]pyriMidine-4,6-diaMine,N4-(3-broMophenyl)-N6-Methyl-
CHEBI:928434-(3-bromoanilino)-6-methylaminopyrido[3,4-d]pyrimidine4-[(3-bromophenyl)amino]-6-(methylamino)pyrido[3,4-d]pyrimidine4-(3-bromoanilino)-6-(methylamino)pyrido[3,4-d]pyrimidineN(4)-(3-bromophenyl)-N(6)-methylpyrido[3,4-d]pyrimidine-4,6-diamineC14H12BrN5AC1L1IRVN4-(3-Bromophenyl)-N6-methylpyrido(3,4-d)pyrimidine-4,6-diamine
Datenbank-Bezeichner
- CAS
171179-06-9- PubChem CID
- 4707
- DTXSID
DTXSID20274443- ChEMBL
CHEMBL53753- ChEBI
CHEBI:92843- EC Number
- 683-576-1
- Nikkaji
- J746.179H
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,4
- Polarare Oberfläche (TPSA)
- 62,7 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 20
- Formalladung
- 0
- Komplexität
- 316
Physikochemische Eigenschaften
- Schmelzpunkt
- 174 to · 174.0 to 178.0 °C
- Siedepunkt
- 499.6 · 499.6±45.0 °C(Predicted)
- Dichte
- 1.611 · 1.611±0.06 g/cm3 (20 ºC 760 Torr)
- storage temp.
- -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
- Löslichkeit
- 20 mg/mL · DMSO: ≥20mg/mL
- Aggregatzustand
- Yellow solid
- pka
- 5.8 · 5.80±0.30(Predicted)
- Farbe
- yellow
- InChI
- 1S/C14H12BrN5/c1-16-13-6-11-12(7-17-13)18-8-19-14(11)20-10-4-2-3-9(15)5-10/h2-8H,1H3,(H,16,17)(H,18,19,20)
- InChIKey
- KFHMLBXBRCITHF-UHFFFAOYSA-N
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Sicherheitsdaten
- wgk
- WGK 2
- hs_code
- 2912.49.2600
- risk_code
- 22
- hazard_code
- Xn
- Speicherklasse
- 10 - Combustible liquids
Chemie und Industrie
Anwendungen
VerwendenPD 158780 is a potent tyrosine kinase inhibitor of the epidermal growth factor receptor and has been shown to delay substantial growth of tumors in vivo tumor models.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
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武汉易泰科技有限公司上海分公司18930552037 · [email protected]
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