Cp-724714
Grundinformationen
- CAS
383432-38-0- Standard-SMILES
COCC(=O)NC/C=C/c1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1- InChIKey
LLVZBTWPGQVVLW-SNAWJCMRSA-N- Summenformel
- C27H27N5O3
- Durchschnittliche Molmasse
- 469,5 g/mol
- Monoisotopische Masse
- 469,21138974
Überblick
CP-724714 is a 2-methoxy-N-[3-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]-6-quinazolinyl]prop-2-enyl]acetamide in which the double bond adopts a trans-configuration. It is a potent inhibitor of HER2/ErbB2 (IC50 = 10 nM) and exhibits anti-cancer activity. It has a role as an antineoplastic agent, a hepatotoxic agent, an EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor and an apoptosis inducer.
Namen und Bezeichner
- Bevorzugter Name
- Cp-724714
- IUPAC
- 2-methoxy-N-[(E)-3-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]prop-2-enyl]acetamide
- Englischer Name
- 2-Methoxy-N-[(2E)-3-[4-[[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]amino]-6-quinazolinyl]-2-propen-1-yl]acetamide
- Summenformel
- C27H27N5O3
- Molmasse
- 469.54
Namen und Synonyme
CP-724714383432-38-0CP-724,714I05QZ0S4V32-Methoxy-N-[(2E)-3-[4-[[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]amino]-6-quinazolinyl]-2-propen-1-yl]acetamide2-Methoxy-N-((2E)-3-(4-((3-methyl-4-((6-methyl-3-pyridinyl)oxy)phenyl)amino)-6-quinazolinyl)-2-propen-1-yl)acetamideCHEBI:167658DTXSID401026009Acetamide, 2-methoxy-N-(3-(4-((3-methyl-4-((6-methyl-3-pyridinyl)oxy)phenyl)amino)-6-quinazolinyl)-2-propen-1-yl)-2-methoxy-N-[(2E)-3-[4-({3-methyl-4-[(6-methylpyridin-3-yl)oxy]phenyl}amino)quinazolin-6-yl]prop-2-en-1-yl]acetamide2-methoxy-N-((2E)-3-(4-((3-methyl-4-((6-methylpyridin-3-yl)oxy)phenyl)amino)quinazolin-6-yl)prop-2-en-1-yl)acetamide2-methoxy-N-((E)-3-(4-((3-methyl-4-(6-methylpyridin-3-yl)oxyphenyl)amino)quinazolin-6-yl)prop-2-enyl)acetamide
Weitere Namen anzeigen
714CP724CP-724CP 724CS-2306CP-724714（b）CP 724714 NEWCP-724714, 10 mM in DMSOCP-724714 (E-Double bond)CP-724714 (E-DOUBLE BOND)
2-methoxy-N-[(E)-3-[4-[[3-methyl-4-(6-methylpyridin-3-yl)oxyphenyl]amino]quinazolin-6-yl]prop-2-enyl]acetamideRefChem:1082252DTXCID701510261CP 724714CP724714(E/Z)-CP-7247142-methoxy-N-[(E)-3-[4-[3-methyl-4-(6-methylpyridin-3-yl)oxyanilino]quinazolin-6-yl]prop-2-enyl]acetamideUNII-I05QZ0S4V3
Datenbank-Bezeichner
- CAS
383432-38-0、537705-08-1、845680-17-3- PubChem CID
- 9874913
- DTXSID
DTXSID401026009- ChEMBL
CHEMBL483321- ChEBI
CHEBI:167658- UNII
- I05QZ0S4V3
- Nikkaji
- J3.783.150F
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 4,3
- Polarare Oberfläche (TPSA)
- 98,3 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 7
- Frei drehbare Bindungen
- 9
- Schwere Atome
- 35
- Formalladung
- 0
- Komplexität
- 692
Experimentelle und physikochemische Eigenschaften
DrugsPharmaceuticals -> Listed in ZINC15
Physikochemische Eigenschaften
- Siedepunkt
- 687.3 · 687.3±55.0 °C(Predicted)
- Dichte
- 1.251 · 1.251
- storage temp.
- -20 °C · Store at -20°C
- Löslichkeit
- 3 mg/ml; · DMF: 3 mg/ml; DMF:PBS(pH 7.2)(1:1): 0.5 mg/ml; DMSO: 3 mg/ml; Ethanol: 2 mg/ml
- Aggregatzustand
- A crystalline solid
- pka
- 13.95 · 13.95±0.46(Predicted)
- Farbe
- Light yellow to yellow
- InChIKey
- LLVZBTWPGQVVLW-SNAWJCMRSA-N
- SMILES
- COCC(NC/C=C/C1=CC=C(N=CN=C2NC3=CC=C(OC4=CC=C(C)N=C4)C(C)=C3)C2=C1)=O
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
BeschreibungCP 724,714 is a selective inhibitor of HER2/ErbB2 with an IC50 value of 10 nM. It demonstrates greater than 640-fold selectivity against EGFR, InsR, IRG-1R, PDGFR, VEGFR2, Abl, Src, and c-Met. CP 724,714 has been shown to inhibit the proliferation of ErbB2-amplified cells, including BT474 and SK-BR-3 with IC50 values of 0.25 and 0.95 μM, respectively. It also demonstrates antitumor activity in various human tumor xenograft models. However, CP 724,714 was discontinued from clinical development due to hepatotoxicity caused by its ability to inhibit hepatic efflux transporters at low micromolar concentrations.
VerwendenCP 724714 is a HER-2 tyrosine kinase inhibitor used in tumor treatments for HER2 positive solid tumors.
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