2-(2-amino-3-methoxyphenyl)-4H-1-benzopyran-4-one
Grundinformationen
- CAS
167869-21-8- Standard-SMILES
COc1cccc(-c2cc(=O)c3ccccc3o2)c1N- InChIKey
QFWCYNPOPKQOKV-UHFFFAOYSA-N- Summenformel
- C16H13NO3
- Durchschnittliche Molmasse
- 267,28 g/mol
- Monoisotopische Masse
- 267,08954328
Namen und Bezeichner
- Bevorzugter Name
- 2-(2-amino-3-methoxyphenyl)-4H-1-benzopyran-4-one
- IUPAC
- 2-(2-amino-3-methoxyphenyl)chromen-4-one
- Englischer Name
- PD 98059
- Summenformel
- C16H13NO3
- Molmasse
- 267.28
Namen und Synonyme
167869-21-8PD 98059PD-980592-(2-Amino-3-methoxyphenyl)-4H-1-benzopyran-4-onePD 98,0592'-AMINO-3'-METHOXYFLAVONE4H-1-Benzopyran-4-one, 2-(2-Amino-3-methoxyphenyl)-PD-098059SJE1IO5E3IPD 098059NSC-6798282-(2'-amino-3'-methoxyphenyl)oxanaphthalen-4-one
Weitere Namen anzeigen
2-(2-AMINO-3-METHOXYPHENYL)-4H-CHROMEN-4-ONECS-398PD090859PD 98,59PD 098,059PD 98059 NEWPD 98059, 99+%Amino chromonePD98059 ，S1177
PD098059DTXSID40168416NSC679828NSC-679829PD09859RefChem:83994DTXCID1090907MEK INHIBITOR PD-98059
Datenbank-Bezeichner
- CAS
167869-21-8- PubChem CID
- 4713
- DTXSID
DTXSID40168416- ChEMBL
CHEMBL35482
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,9
- Polarare Oberfläche (TPSA)
- 61,6 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 20
- Formalladung
- 0
- Komplexität
- 407
Physikochemische Eigenschaften
- Schmelzpunkt
- 164 · 164~165℃
- Siedepunkt
- 453.1 · 453.1±45.0 °C(Predicted)
- Dichte
- 1.3 · 1.300±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C
- Löslichkeit
- 0.6 mg/mL · ethanol: 0.6 mg/mL
- pka
- 1.21 · 1.21±0.10(Predicted)
- Aggregatzustand
- solid
- Farbe
- yellow
- Stabilität
- 2 years · Stable for 2 years from date of purchase as supplied. Solutions in DMSO may be stored at -20° for up to 3 months.
- InChI
- InChI=1S/C16H13NO3/c1-19-14-8-4-6-11(16(14)17)15-9-12(18)10-5-2-3-7-13(10)20-15/h2-9H,17H2,1H3
- InChIKey
- QFWCYNPOPKQOKV-UHFFFAOYSA-N
- SMILES
- C1(C2=CC=CC(OC)=C2N)OC2=CC=CC=C2C(=O)C=1
- CAS Datenbank
- 167869 · 167869-21-8(CAS DataBase Reference)
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
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 2 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. 3 (100%)
Sicherheitsdaten
- wgk
- 3
- ridadr
- UN 2811 6.1/PG 3
- hs_code
- 29322090
- risk_code
- 22
- hazard_code
- Xn
- safety_code
- 22-60-36
- Speicherklasse
- 10 - Combustible liquids
Chemie und Industrie
Pharmakologische Informationen
MeSH Pharmacological ClassificationAgents that inhibit PROTEIN KINASES.
Anwendungen
BeschreibungPD 98059 is a noncompetitive inhibitor of the MAPK pathway. It prevents the activation of MEK by Raf or MEK kinase (a MAP3K) with an IC50 value of 2-7 μM but does not inhibit Raf-activated MAP2K1. It inhibits Raf activation of MAP2K2 with an IC50 value of 50 μM. PD 98059 also phosphorylates and activates AMP-activated protein kinase (AMPK) in a dose-dependent manner (EC50 = 35 μM in HEK293 cells). It increases the ratios of ADP to ATP and AMP to ATP and increases phosphorylation of the AMPK target acetyl-CoA carboxylase (ACC).
VerwendenPD 98059 is a selective inhibitor of MEK and blocker of MAPK.
Anbieter100 Anbieter
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Syntechem Co.,Ltd[email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
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